成果/Result
- 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
- Study on synergistic toughening of polypropylene with high-density polyethylene and elastomer-olefin block copolymers under ultrasonic application被引量：45收藏
- 作者：He, Xuelian Shi, Jiaji Wu, Lei Jiang, Pingkai Liu, Boping
- 机构：East China Univ Sci & Technol;Shanghai Jiao Tong Univ;South China Agr Univ
- 来源：COMPOSITES SCIENCE AND TECHNOLOGY 2018
- 关键词：Polypropylene High density polyethylene Elastomer-olefin block copolymers Interfacial interaction Ultrasonic
- 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
- 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
- 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
- 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
- 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
- Effect of short chain branches distribution on fracture behavior of polyethylene pipe resins被引量：26收藏
- 作者：He, Xuelian Zha, Xiaojuan Zhu, Xiao Qi, Xin Liu, Boping
- 机构：East China Univ Sci & Technol;South China Agr Univ
- 来源：POLYMER TESTING 2018
- 关键词：Polyethylene Short chain branch Crystallization Slow crack growth
- 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
- What Triggered the Switching from Ethylene-Selective Trimerization into Tetramerization over the Cr/(2,2′-Dipicolylamine) Catalysts?被引量：24收藏
- 作者：Liu, Lin Liu, Zhen Tang, Siyang Cheng, Ruihua He, Xuelian Liu, Boping
- 机构：East China Univ Sci & Technol;Sichuan Univ;South China Agr Univ
- 来源：ACS CATALYSIS 2019
- 关键词：ethylene trimerization ethylene tetramerization switchable mechanism effect of methyl substituent DFT
- 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
- Synergistic toughening of polypropylene with ultra-high molecular weight polyethylene and elastomer-olefin block copolymers被引量：23收藏
- 作者：Qi, Lucheng Wu, Lei He, Ren Cheng, Hui Liu, Boping He, Xuelian
- 机构：East China Univ Sci & Technol;South China Agr Univ;Daqing Petrochem Res Ctr PetroChina
- 来源：RSC ADVANCES 2019
- 关键词：Nonmetallic matrix composites - Crystallinity - Plastic products - Impact strength - Nucleation - Olefins - Elastomers - Polypropylenes - Molecular weight - Block copolymers
- 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
- 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
- The First Vanadium-Oxide-Based UHMWPE Catalyst Supported on Chemically Modified Silica Gel被引量：20收藏
- 作者：Jin, Yulong Cheng, Ruihua He, Xuelian Liu, Zhen Zhao, Ning Liu, Boping
- 机构：East China Univ Sci & Technol
- 来源：MACROMOLECULAR CHEMISTRY AND PHYSICS 2017
- 关键词：chloride-free modification polymerization ultrahigh molecular weight polyethylene (UHMWPE) vanadium-oxide-based catalysts
- DFT Functional Benchmarking on the Energy Splitting of Chromium Spin States and Mechanistic Study of Acetylene Cyclotrimerization over the Phillips Cr(II)/Silica Catalyst被引量：18收藏
- 作者：Liu, Zhen Cheng, Ruihua He, Xuelian Wu, Xiaojun Liu, Boping
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY A 2012
- 关键词：Catalysts - Chromium compounds - Catalysis - Coordination reactions - Energy gap - Benchmarking - Surface reactions - Density functional theory - Lighting - Quantum chemistry - Potential energy - Hydrogen bonds - Spin dynamics
- Reactivity and Regioselectivity of Methylacetylene Cyclotrimerization over the Phillips Cr/Silica Catalyst: A DFT Study被引量：18收藏
- 作者：Liu, Zhen Cheng, Ruihua He, Xuelian Liu, Boping
- 机构：E China Univ Sci & Technol
- 来源：ACS CATALYSIS 2013
- 关键词：methylacetylene cyclotrimerization Phillips chromium catalyst DFT TOF spin flipping
- Unraveling the Effects of H2, N Substituents and Secondary Ligands on Cr/PNP-Catalyzed Ethylene Selective Oligomerization被引量：18收藏
- 作者：Liu, Lin Liu, Zhen Cheng, Ruihua He, Xuelian Liu, Boping
- 机构：East China Univ Sci & Technol;South China Agr Univ
- 来源：ORGANOMETALLICS 2018
- 关键词：Oligomerization - Gibbs free energy - Chromium - Free energy - Ligands - Catalyst activity - Catalyst selectivity - Oligomers
- A Novel (SiO2/MgO/MgCl2)?TiClx Ziegler-Natta Catalyst for Ethylene and Ethylene/1-Hexene Polymerization被引量：18收藏
- 作者：Wang, Jingwen Cheng, Ruihua He, Xuelian Liu, Zhen Tian, Zhou Liu, Boping
- 机构：E China Univ Sci & Technol
- 来源：MACROMOLECULAR CHEMISTRY AND PHYSICS 2015
- 关键词：copolymerization polymer kinetics polyoefins Ziegler-Natta polymerization
- High-resolution XPS and DFT investigations into Al-modified Phillips CrOx/SiO2 catalysts被引量：18收藏
- 作者：Ma, Yue Wang, Lisong Liu, Zhen Cheng, Ruihua Zhong, Lei Yang, Yun He, Xuelian Fang, Yuwei Terano, Minoru Liu, Boping
- 机构：E China Univ Sci & Technol;Japan Adv Inst Sci & Technol
- 来源：JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL 2015
- 关键词：Phillips CrOx/SiO2 catalyst Al-modification X-ray photoelectron spectroscopy Density functional theory Spin-crossover
- Molecular dynamics study of the isothermal crystallization mechanism of polyethylene chain: the combined effects of chain length and temperature被引量：18收藏
- 作者：Gao, Rui He, Xuelian Zhang, Haiyang Shao, Yunqi Liu, Zhen Liu, Boping
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF MOLECULAR MODELING 2016
- 关键词：Chain length Isothermal crystallization Molecular dynamics simulation Polyethylene
- Excellent behaviors of highly dispersed Ni-based catalyst in CO methanation synthesized by in-situ hydrothermal method with carbon quantum dots assisted被引量：18收藏
- 作者：Gao, Wenli Yin, Qiangfeng Meng, Xin He, Xuelian Xin, Zhong
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：FUEL 2022
- 关键词：CQDs Nickel-based Supported catalyst High dispersion CO methanation
- Dominant Effects of Short-Chain Branching on the Initial Stage of Nucleation and Formation of Tie Chains for Bimodal Polyethylene as Revealed by Molecular Dynamics Simulation被引量：18收藏
- 作者：Hu, Yanling Shao, Yunqi Liu, Zhen He, Xuelian Liu, Boping
- 机构：East China Univ Sci & Technol;South China Agr Univ
- 来源：POLYMERS 2019
- 关键词：short-chain branching distribution methylene sequence length bimodal polyethylene molecular dynamics simulation crystal nucleation tie chains
- Ethylene/1-Hexene Copolymerization with A Novel SiO2-Supported Inorganic and Organic Hybrid Chromium-based Catalyst被引量：17收藏
- 作者：Zhang, Shiliang Cheng, Ruihua Dong, Qi He, Xuelian Wang, Quntao Tang, Yan Yu, Yongling Xie, Kan Da, Jianwen Terano, Minoru Liu, Boping
- 机构：E China Univ Sci & Technol;Qilu Branch Co;Japan Adv Inst Sci & Technol
- 来源：MACROMOLECULAR REACTION ENGINEERING 2013
- 关键词：ethylene/1-hexene copolymerization inorganic and organic hybrid chromium-based catalyst kinetics (polym) separation of polymer short chain branches distribution
- Structural Interpretation of Eyring Activation Parameters for Tensile Yielding Behavior of Isotactic Polypropylene Solids被引量：17收藏
- 作者：Gao, Rui Kuriyagawa, Mizue Nitta, Koh-Hei He, Xuelian Liu, Boping
- 机构：E China Univ Sci & Technol;Kanazawa Univ
- 来源：JOURNAL OF MACROMOLECULAR SCIENCE PART B-PHYSICS 2015
- 关键词：activation volume activation energy Eyring theory isotactic polypropylene tensile behavior yield stress
- DFT and PIO study of the influences of Mo valance state and surface hydroxyl on supported-MoOx catalysts for ethylene polymerization被引量：17收藏
- 作者：Cao, Xiaochun Cheng, Ruihua Liu, Zhen Wang, Lisong Dong, Qi He, Xuelian Liu, Boping
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL 2010
- 关键词：Supported-MoOx catalyst Ethylene polymerization Molecular modeling Valence state Surface hydroxyl
- Hierarchical structure manipulation of UHMWPE/HDPE fibers through in-reactor blending with Cr/V bimetallic catalysts被引量：16收藏
- 作者：Pan, Xuefeng Shi, Jiaji Jin, Yulong Liu, Boping Li, Liangbin He, Xuelian
- 机构：East China Univ Sci & Technol;South China Agr Univ;Univ Sci & Technol China;Univ Sci & Technol China
- 来源：COMPOSITES SCIENCE AND TECHNOLOGY 2019
- 关键词：High density polyethylene Ultra-high molecular weight polyethylene Fibres In-reactor polymerization Crystallization
- Improved performance and crystallization behaviors of bimodal HDPE/UHMWPE blends assisted by ultrasonic oSCIllations被引量：14收藏
- 作者：Pan, Xuefeng Huang, Yu Zhang, Yan Liu, Boping He, Xuelian
- 机构：East China Univ Sci & Technol;South China Agr Univ
- 来源：MATERIALS RESEARCH EXPRESS 2019
- 关键词：crystallization extrusion mechanical properties orientation polyethylene
