成果/Result
- Spectroscopic and structural characterization of Cr(II)/SiO2 active site precursors in model Phillips polymerization catalysts被引量：53收藏
- 作者：Zhong, Lei Lee, Ming-Yung Liu, Zhen Wanglee, Ying-Jen Liu, Boping Scott, Susannah L.
- 机构：Univ Calif Santa Barbara;E China Univ Sci & Technol;Univ Calif Santa Barbara
- 来源：JOURNAL OF CATALYSIS 2012
- 关键词：Polymerization Phillips catalyst Chromyl chloride Silica X-ray absorption spectroscopy ONIOM
- Role of 1,2-Dimethoxyethane in the Transformation from Ethylene Polymerization to Trimerization Using Chromium Tris(2-ethylhexanoate)-Based Catalyst System: A DFT Study被引量：50收藏
- 作者：Qi, Yuan Dong, Qi Zhong, Lei Liu, Zhen Qiu, Pengyuan Cheng, Ruihua He, Xuelian Vanderbilt, Jeffrey Liu, Boping
- 机构：E China Univ Sci & Technol;Westlake Chem Corp
- 来源：ORGANOMETALLICS 2010
- 关键词：Coordination reactions - Chromium compounds - Metals - Dimerization - Density functional theory - Ethylene
- Polylactide/graphite nanosheets/MWCNTs nanocomposites with enhanced mechanical, thermal and electrical properties被引量：45收藏
- 作者：Duan, Jingkuan Shao, Shuangxi Ya-Li Wang, Linfeng Jiang, Pingkai Liu, Baiping
- 机构：Ningbo Univ Technol;Shanghai Jiao Tong Univ;E China Univ Sci & Technol
- 来源：IRANIAN POLYMER JOURNAL 2012
- 关键词：Polylactide Graphite nanosheets MWCNTs Nanocomposites
- Spin Surface Crossing between Chromium(I)/Sextet and Chromium(III)/Quartet without Deprotonation in SNS-Cr Mediated Ethylene Trimerization被引量：42收藏
- 作者：Yang, Yun Liu, Zhen Zhong, Lei Qiu, Pengyuan Dong, Qi Cheng, Ruihua Vanderbilt, Jeffrey Liu, Boping
- 机构：E China Univ Sci & Technol;Westlake Chem Corp
- 来源：ORGANOMETALLICS 2011
- 关键词：Ethylene - Redox reactions - Free energy - Gibbs free energy - Density functional theory - Activation energy - Chromium compounds - Ground state
- A CFD-PBM model considering ethylene polymerization for the flow behaviors and particle size distribution of polyethylene in a pilot-plant fluidized bed reactor被引量：42收藏
- 作者：Che, Yu Tian, Zhou Liu, Zhen Zhang, Rui Gao, Yuxin Zou, Enguang Wang, Sihan Liu, Boping
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;Petrochem Res Inst PetroChina
- 来源：POWDER TECHNOLOGY 2015
- 关键词：Pilot-plant fluidized bed reactor Population balance model (PBM) Ethylene polymerization Particle flow behaviors Particle size distribution (PSD)
- Selective Ethylene Tri-/Tetramerization by in Situ-Formed Chromium Catalysts Stabilized by N,P-Based Ancillary Ligand Systems被引量：41收藏
- 作者：Yang, Yun Liu, Zhen Liu, Boping Duchateau, Robbert
- 机构：E China Univ Sci & Technol;Eindhoven Univ Technol
- 来源：ACS CATALYSIS 2013
- 关键词：selective ethylene oligomerization ethylene tetramerization chromium catalyst ligand design solvent effect DFT calculation
- Phillips Cr/Silica Catalyst for Ethylene Polymerization被引量：41收藏
- 作者：Cheng, Ruihua Liu, Zhen Zhong, Lei He, Xuelian Qiu, Pengyuan Terano, Minoru Eisen, Moris S. Scott, Susannah L. Liu, Boping
- 机构：E China Univ Sci & Technol;Japan Adv Inst Sci & Technol;Technion Israel Inst Technol;Univ Calif Santa Barbara
- 来源：POLYOLEFINS: 50 YEARS AFTER ZIEGLER AND NATTA I: POLYETHYLENE AND POLYPROPYLENE 2013
- 关键词：Ethylene polymerization mechanisms Heterogeneous model catalysts Homogeneous model catalysts Molecular modeling Phillips Cr/silica catalyst Polyethylene Polymerization kinetics
- Selective Ethylene Oligomerization with Chromium Complexes Bearing Pyridine-Phosphine Ligands: Influence of Ligand Structure on Catalytic Behavior被引量：40收藏
- 作者：Yang, Yun Gurnham, Joanna Liu, Boping Duchateau, Robbert Ganabarotta, Sandro Korobkov, Ilia
- 机构：Eindhoven Univ Technol;E China Univ Sci & Technol;Univ Ottawa;Univ Ottawa
- 来源：ORGANOMETALLICS 2014
- 关键词：Oligomerization - Phosphorus compounds - Catalyst activity - Chromium compounds - Organic solvents - Synthesis (chemical) - Chlorine compounds - Ethylene - Ligands - Oligomers
- A Novel SiO2-Supported Cr-V Bimetallic Catalyst Making Polyethylene and Ethylene/1-Hexene Copolymers with Bimodal Molecular Weight Distribution被引量：39收藏
- 作者：Zhao, Ning Cheng, Ruihua He, Xuelian Liu, Zhen Liu, Boping
- 机构：E China Univ Sci & Technol
- 来源：MACROMOLECULAR CHEMISTRY AND PHYSICS 2014
- 关键词：copolymerization kinetics (polym.) novel Cr-V bimetallic catalysts short-chain branch distribution temperature rising elution fractionation successive self- nucleation/annealing (TREF plus SSA)
- Mechanistic DFT Study on Ethylene Trimerization of Chromium Catalysts Supported by a Versatile Pyrrole Ligand System被引量：37收藏
- 作者：Yang, Yun Liu, Zhen Cheng, Ruihua He, Xuelian Liu, Boping
- 机构：E China Univ Sci & Technol;Eindhoven Univ Technol
- 来源：ORGANOMETALLICS 2014
- 关键词：Chromium - Ground state - Chlorine compounds - Ethylene - Chromium compounds - Catalysts
- Beneficial influence of nanocarbon on the aryliminopyridylnickel chloride catalyzed ethylene polymerization被引量：37收藏
- 作者：Zhang, Liping Yue, Erlin Liu, Boping Serp, Philippe Redshaw, Carl Sun, Wen-Hua Durand, Jerome
- 机构：Composante ENSIACET;Chinese Acad Sci;Chinese Acad Sci;E China Univ Sci & Technol;Univ Hull
- 来源：CATALYSIS COMMUNICATIONS 2014
- 关键词：Branching polyethylene Carbon nanotubes Ethylene polymerization Graphene 2-Iminopyridylnickel complex
- High-resolution spectroscopy (XPS, 1H MAS solid-state NMR) and DFT investigations into Ti-modified Phillips CrOx/SiO2 catalysts被引量：34收藏
- 作者：Cheng, Ruihua Xu, Chen Liu, Zhen Dong, Qi He, Xuelian Fang, Yuwei Terano, Minoru Hu, Yatao Pullukat, Thomas J. Liu, Boping
- 机构：E China Univ Sci & Technol;Japan Adv Inst Sci & Technol;PQ Corp
- 来源：JOURNAL OF CATALYSIS 2010
- 关键词：Phillips CrOx/SiO2 catalyst Ti-modification X-ray photoelectron spectroscopy H-1 magic-angle-spin solid-state nuclear magnetic resonance Density functional theory
- Copolymerization of CO2 and propylene oxide using ZnGA/DMC composite catalyst for high molecular weight poly(propylene carbonate)被引量：33收藏
- 作者：Meng, Qingyang Cheng, Ruihua Li, Jiajia Wang, Tingting Liu, Boping
- 机构：State Key Lab Chem Engn;East China Univ Sci & Technol
- 来源：JOURNAL OF CO2 UTILIZATION 2016
- 关键词：Carbon dioxide Copolymerization ZnGA/DMC Composite catalyst Synergistic effects
- Effects of Branch Content and Branch Length on Polyethylene Crystallization: Molecular Dynamics Simulation被引量：32收藏
- 作者：Gao, Rui He, Xuelian Shao, Yunqi Hu, Yanling Zhang, Haiyang Liu, Zhen Liu, Boping
- 机构：East China Univ Sci & Technol
- 来源：MACROMOLECULAR THEORY AND SIMULATIONS 2016
- 关键词：branch content branch length molecular dynamics simulation polyethylene trans-rich state
- Adsorption of TiCl4 and electron donor on defective MgCl2 surfaces and propylene polymerization over Ziegler-Natta catalyst: A DFT study被引量：30收藏
- 作者：Cheng, Rui-hua Luo, Jun Liu, Zhen Sun, Jing-wen Huang, Wei-huan Zhang, Ming-ge Yi, Jian-jun Liu, Bo-ping
- 机构：E China Univ Sci & Technol;China Natl Petr Corp
- 来源：CHINESE JOURNAL OF POLYMER SCIENCE 2013
- 关键词：Supported Ziegler-Natta catalyst Propylene polymerization Defective MgCl2 surfaces Electron donor Density functional theory
- Active Site Transformation During the Induction Period of Ethylene Polymerization over the Phillips CrOx/SiO2 Catalyst被引量：29收藏
- 作者：Zhong, Lei Liu, Zhen Cheng, Ruihua Tang, Siyang Qiu, Pengyuan He, Xuelian Terano, Minoru Liu, Boping
- 机构：E China Univ Sci & Technol;Japan Adv Inst Sci & Technol
- 来源：CHEMCATCHEM 2012
- 关键词：adsorption heterogeneous catalysis metathesis reaction mechanisms spin crossover
- Selective Co-Oligomerization of Ethylene and 1-Hexene by Chromium-PNP Catalysts: A DFT Study被引量：29收藏
- 作者：Gong, Minglan Liu, Zhen Li, Yuanhui Ma, Yue Sun, Qiaoqiao Zhang, Jialong Liu, Boping
- 机构：E China Univ Sci & Technol
- 来源：ORGANOMETALLICS 2016
- 关键词：Isomers - Oligomers - Catalysts - Free energy - Density functional theory - Oligomerization - Chromium compounds - Gibbs free energy - Chlorine compounds - Phosphorus compounds - Chromium
- Estimation of Apparent Kinetic Constants of Individual Site Types for the Polymerization of Ethylene and α-olefins with Ziegler-Natta Catalysts被引量：28收藏
- 作者：Chen, Keran Mehdiabadi, Saeid Liu, Boping Soares, Joao B. P.
- 机构：Univ Alberta;East China Univ Sci & Technol
- 来源：MACROMOLECULAR REACTION ENGINEERING 2016
- 关键词：polyethylene polymer reaction engineering polymerization modelling MWD deconvolution Ziegler-Natta
- Short-chain branching distribution oriented model development for Borstar bimodal polyethylene process and its correlation with product performance of slow crack growth被引量：27收藏
- 作者：Tian, Zhou Chen, Ke-Ran Liu, Bo-Ping Luo, Na Du, Wen-Li Qian, Feng
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING SCIENCE 2015
- 关键词：Modeling Catalytic ethylene polymerization Short-chain branching distribution Slow crack growth performance Structure-property relationship Bimodal polyethylene
- CFD prediction of scale-up effect on the hydrodynamic behaviors of a pilot-plant fluidized bed reactor and preliminary exploration of its application for non-pelletizing polyethylene process被引量：27收藏
- 作者：Che, Yu Tian, Zhou Liu, Zhen Zhang, Rui Gao, Yuxin Zou, Enguang Wang, Sihan Liu, Boping
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;Petrochem Res Inst PetroChina
- 来源：POWDER TECHNOLOGY 2015
- 关键词：Computational fluid dynamic (CFD) Non-pelletizing polyethylene process (NPPP) Pilot-plant fluidized bed reactor Core-annulus structure Scale-up effect
- Novel SiO2-Supported Chromium Oxide(Cr)/Vanadium Oxide(V) Bimetallic Catalysts for Production of Bimodal Polyethylene被引量：26收藏
- 作者：Cheng, Ruihua Xue, Xin Liu, Weiwei Zhao, Ning He, Xuelian Liu, Zhen Liu, Boping
- 机构：E China Univ Sci & Technol
- 来源：MACROMOLECULAR REACTION ENGINEERING 2015
- 关键词：bimodal molecular weight distribution copolymerization Cr-V bimetallic catalyst kinetics (polym.) short chain branch distribution (SCBD)
- Novel SiO2-Supported Silyl-Chromate(Cr)/Imido-Vanadium(V) Bimetallic Catalysts Producing Polyethylene and Ethylene/1-Hexene Copolymers with Bimodal Molecular-Weight Distribution被引量：25收藏
- 作者：Zhao, Ning Cheng, Ruihua He, Xuelian Liu, Zhen Liu, Boping Zhang, Rui Gao, Yuxin Zou, Enguang Wang, Sihan
- 机构：E China Univ Sci & Technol;Petrochem Res Inst PetroChina
- 来源：MACROMOLECULAR CHEMISTRY AND PHYSICS 2014
- 关键词：bimodal molecular-weight distribution (MWD) copolymerization kinetics (polym) imido V compounds novel Cr-imido V bimetallic catalyst
- A Triphenylsiloxy Complex of Chromium(II) as a Switchable Catalyst for Ethylene Polymerization and Nonselective Oligomerization被引量：25收藏
- 作者：Qiu, Pengyuan Cheng, Ruihua Liu, Boping Tumanskii, Boris Batrice, Rami J. Botoshansky, Mark Eisen, Moris S.
- 机构：E China Univ Sci & Technol;Technion Israel Inst Technol
- 来源：ORGANOMETALLICS 2011
- 关键词：Polymerization - Coordination reactions - Crystal structure - Argon - Ethylene - Nuclear magnetic resonance spectroscopy - Aluminum compounds - Oligomers - Aluminum - Chromium compounds - Electron spin resonance spectroscopy - Oligomerization - Paramagnetic resonance
- Mechanistic Aspects of Acrylic Acid Formation from CO2-Ethylene Coupling over Palladium- and Nickel-based Catalysts被引量：24收藏
- 作者：Li, Yuanhui Liu, Zhen Cheng, Ruihua Liu, Boping
- 机构：East China Univ Sci & Technol;South China Agr Univ
- 来源：CHEMCATCHEM 2018
- 关键词：CO2-ethylene coupling density functional calculations ligand effect mechanism Ni-0 Pd-0-based catalysts
- Kinetic studies on the pyrrole-Cr-based Chevron-Phillips ethylene trimerization catalyst system被引量：23收藏
- 作者：Tang, Siyang Liu, Zhen Yan, Xiaowei Li, Ning Cheng, Ruihua He, Xuelian Liu, Boping
- 机构：E China Univ Sci & Technol
- 来源：APPLIED CATALYSIS A-GENERAL 2014
- 关键词：Kinetic study Ethylene trimerization 1-Hexene Pyrrole-Cr based catalyst
- Effect of short-chain branching on the tie chains and dynamics of bimodal polyethylene: Molecular dynamics simulation被引量：22收藏
- 作者：Hu, Yanling Shao, Yunqi Liu, Zhen He, Xuelian Liu, Boping
- 机构：East China Univ Sci & Technol
- 来源：EUROPEAN POLYMER JOURNAL 2018
- 关键词：Short-chain branching distribution Bimodal polyethylene Molecular dynamics simulation Tie chains
- Cationic Pyridylamido Adsorbate on Bronsted Acidic Sulfated Zirconia: A Molecular Supported Organohafnium Catalyst for Olefin Homo- and Co-Polymerization被引量：22收藏
- 作者：Zhang, Jialong Motta, Alessandro Gao, Yanshan Stalzer, Madelyn Marie Delferro, Massimiliano Liu, Boping Lohr, Tracy L. Marks, Tobin J.
- 机构：East China Univ Sci & Technol;Northwestern Univ;Univ Roma La Sapienza;UdR Roma;Argonne Natl Lab
- 来源：ACS CATALYSIS 2018
- 关键词：organohafnium catalyst olefin polymerization sulfated oxides supported catalysts DFT calculations
- Analysis of Ethylene/1-Olefin Copolymers Made with Ziegler-Natta Catalysts by Deconvolution of Molecular Weight and Average Short Chain Branching Distributions被引量：22收藏
- 作者：Chen, Keran Mehdiabadi, Saeid Liu, Boping Soares, Joao B. P.
- 机构：Univ Alberta;East China Univ Sci & Technol
- 来源：MACROMOLECULAR REACTION ENGINEERING 2016
- 关键词：LLDPE MWD deconvolution polyethylene polymer reaction engineering Ziegler-Natta
- Mechanistic Studies on the Switching from Ethylene Polymerization to Nonselective Oligomerization over the Triphenylsiloxy Chromium(II)/Methylaluminoxane Catalyst被引量：20收藏
- 作者：Zhang, Jialong Qiu, Pengyuan Liu, Zhen Liu, Boping Batrice, Rami J. Botoshansky, Mark Eisen, Moris S.
- 机构：E China Univ Sci & Technol;SINOPEC;Technion Israel Inst Technol
- 来源：ACS CATALYSIS 2015
- 关键词：Phillips catalyst ethylene polymerization ethylene nonselective oligomerization active species switching mechanism DFT calculations
- A novel SiO2-supported inorganic and organic hybrid chromium-based catalyst for ethylene polymerization被引量：20收藏
- 作者：Zhang, Shiliang Dong, Qi Cheng, Ruihua He, Xuelian Wang, Quntao Tang, Yan Yu, Yongling Xie, Kan Da, Jianwen Liu, Boping
- 机构：E China Univ Sci & Technol;SINOPEC
- 来源：JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL 2012
- 关键词：Phillips CrOx/SiO2 catalyst S-2 catalyst Inorganic and organic hybrid chromium-based catalyst Ethylene polymerization
