成果/Result
- ZnS-SnS@NC Heterostructure as Robust Lithiophilicity and Sulfiphilicity Mediator toward High-Rate and Long-Life Lithium-Sulfur Batteries被引量：665收藏
- 作者：Yao, Weiqi Zheng, Weizhong Xu, Jie Tian, Chengxiang Han, Kun Sun, Weizhen Xiao, Shengxiong
- 机构：Shanghai Normal Univ;East China Univ Sci & Technol;Fudan Univ;Fudan Univ;Natl Univ Singapore
- 来源：ACS NANO 2021
- 关键词：Li-S batteries heterostructure ZnS-SnS polysulfides electrocatalysts
- Synthesis of ZIF-8 and ZIF-67 nanocrystals with well-controllable size distribution through reverse microemulsions被引量：226收藏
- 作者：Sun, Weizhen Zhai, Xiangsu Zhao, Ling
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING JOURNAL 2016
- 关键词：Zeolite imidazole framework Nano particles Microemulsion
- Computational screening of porous metal-organic frameworks and zeolites for the removal of SO2 and NOx from flue gases被引量：138收藏
- 作者：Sun, Weizhen Lin, Li-Chiang Peng, Xuan Smit, Berend
- 机构：E China Univ Sci & Technol;Univ Calif Berkeley;E China Univ Sci & Technol;Beijing Univ Chem Technol;Univ Calif Berkeley
- 来源：AICHE JOURNAL 2014
- 关键词：harmful gas removal adsorbent material molecular simulation adsorption separation
- Rational design of the carbon nanofiber catalysts for oxidative dehydrogenation of ethylbenzene被引量：89收藏
- 作者：Zhao, Tie-Jun Sun, Wei-Zhen Gu, Xiong-Yi R?nning, Magnus Chen, De Dai, Ying-Chun Yuan, Wei-Kang Holmen, Anders
- 机构：E China Univ Sci & Technol;Norwegian Univ Sci & Technol
- 来源：APPLIED CATALYSIS A-GENERAL 2007
- 关键词：carbon nanofibers oxidative dehydrogenation of ethylbenzene selectivity rational design
- Alkylation Kinetics of Isobutane by C4 Olefins Using Sulfuric Acid as Catalyst被引量：66收藏
- 作者：Sun, Weizhen Shi, Yi Chen, Jie Xi, Zhenhao Zhao, Ling
- 机构：E China Univ Sci & Technol
- 来源：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 2013
- High-Temperature and High-Pressure Pyrolysis of Hexadecane: Molecular Dynamic Simulation Based on Reactive Force Field (ReaxFF)被引量：55收藏
- 作者：Chen, Zhuojun Sun, Weizhen Zhao, Ling
- 机构：East China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY A 2017
- 关键词：Activation analysis - Paraffins - Pyrolysis - Molecular dynamics - Plastic products - Activation energy - Crude oil - Elastomers - Reaction rates - Heavy oil production - Industrial chemicals
- Water Adsorption in Metal-Organic Frameworks with Open-Metal Sites被引量：47收藏
- 作者：Peng, Xuan Lin, Li-Chiang Sun, Weizhen Smit, Berend
- 机构：Beijing Univ Chem Technol;Univ Calif Berkeley;E China Univ Sci & Technol;E China Univ Sci & Technol;Univ Calif Berkeley
- 来源：AICHE JOURNAL 2015
- 关键词：adsorption molecular simulation water metal organic frameworks
- Controllable Preparation of Nanoscale Metal-Organic Frameworks by Ionic Liquid Microemulsions被引量：44收藏
- 作者：Zheng, Weizhong Hao, Xiaolei Zhao, Ling Sun, Weizhen
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 2017
- 关键词：Organometallics - Ionic liquids - Controlled drug delivery - Crystalline materials - Synthesis (chemical) - Medical imaging - Microemulsions - Molecules - Nanotechnology
- Killing Oral Bacteria Using Metal-Organic Frameworks被引量：43收藏
- 作者：Cao, Piao Wu, Xiaojun Zhang, Wenbo Zhao, Ling Sun, Weizhen Tang, Zisheng
- 机构：East China Univ Sci & Technol;Shanghai Jiao Tong Univ;Natl Clin Res Ctr Oral Dis;Shanghai Key Lab Stomatol;Shanghai Res Inst Stomatol
- 来源：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 2020
- 关键词：Chemical stability - Metal-Organic Frameworks - Metals - Crystalline materials - Bacteria - Silver compounds - Sterilization (cleaning)
- Covalent Organic Frameworks-Enhanced Ionic Conductivity of Polymeric Ionic Liquid-Based Ionic Gel Electrolyte for Lithium Metal Battery被引量：41收藏
- 作者：Wang, Zhennan Zheng, Weizhong Sun, Weizhen Zhao, Ling Yuan, Weikang
- 机构：East China Univ Sci & Technol;XinJiang Univ
- 来源：ACS APPLIED ENERGY MATERIALS 2021
- 关键词：ionic gel electrolytes covalent organic frameworks ionic liquids molecular dynamics simulation lithium metal battery
- Simplified Free-Radical Reaction Kinetics for p-Xylene Oxidation to Terephthalic Acid被引量：39收藏
- 作者：Sun, Weizhen Pan, Yi Zhao, Ling Zhou, Xinggui
- 机构：E China Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING & TECHNOLOGY 2008
- 关键词：Catalysis Kinetics Liquid-phase oxidation p-Xylene Reaction engineering
- Modeling of the interfacial behaviors for the isobutane alkylation with C4 olefin using ionic liquid as catalyst被引量：38收藏
- 作者：Zheng, Weizhong Xie, Wenxiu Sun, Weizhen Zhao, Ling
- 机构：East China Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING SCIENCE 2017
- 关键词：Molecular dynamic simulation Interfacial properties Ionic liquids Isobutane alkylation
- Understanding Interfacial Behaviors of Isobutane Alkylation with C4 Olefin Catalyzed by Sulfuric Acid or Ionic Liquids被引量：35收藏
- 作者：Zheng, Weizhong Wang, Huanying Xie, Wenxiu Zhao, Ling Sun, Weizhen
- 机构：East China Univ Sci & Technol
- 来源：AICHE JOURNAL 2018
- 关键词：Computer simulations (MC and MD) Ionic liquids Transport Isobutane alkylation
- Multi-scale modeling of isobutane alkylation with 2-butene using composite ionic liquids as catalyst被引量：34收藏
- 作者：Zheng, Weizhong Li, Di Sun, Weizhen Zhao, Ling
- 机构：East China Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING SCIENCE 2018
- 关键词：Multi-scale modeling Isobutane alkylation Ionic liquid Molecular dynamic simulation
- Combustion Mechanisms and Kinetics of Fuel Additives: A ReaxFF Molecular Simulation被引量：33收藏
- 作者：Chen, Zhuojun Sun, Weizhen Zhao, Ling
- 机构：East China Univ Sci & Technol;Xinjiang Univ
- 来源：ENERGY & FUELS 2018
- 关键词：Ethanol - Combustion - Ethers - Molecular dynamics - Rate constants - Corrosion
- Confined ionic liquids in covalent organic frameworks toward the rational design of high-safety lithium metal battery被引量：29收藏
- 作者：Wang, Zhennan Zheng, Weizhong Li, Bihong Sun, Weizhen Zhao, Ling Yuan, Weikang
- 机构：East China Univ Sci & Technol;XinJiang Univ
- 来源：CHEMICAL ENGINEERING JOURNAL 2022
- 关键词：Lithium metal battery Covalent organic frameworks Ionic liquid Quasi-solid-state electrolytes Molecular dynamic simulation
- Microstructures of the Sulfonic Acid-Functionalized Ionic Liquid/Sulfuric Acid and Their Interactions: A Perspective from the Isobutane Alkylation被引量：29收藏
- 作者：Zheng, Weizhong Huang, Chizhou Sun, Weizhen Zhao, Ling
- 机构：East China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY B 2018
- 关键词：Reusability - Alkylation - Hydrogen bonds - Molecular dynamics - Ions - Calculations - Catalyst activity - Ionic liquids - Hydrogen
- Molecular-level swelling behaviors of poly (ethylene terephthalate) glycolysis using ionic liquids as catalyst被引量：29收藏
- 作者：Zheng, Weizhong Liu, Chenyi Wei, Xin Sun, Weizhen Zhao, Ling
- 机构：East China Univ Sci & Technol;XinJiang Univ
- 来源：CHEMICAL ENGINEERING SCIENCE 2023
- 关键词：PET glycolysis Ionic liquids Interfacial properties MD simulations
- Experimental and modeling study of isobutane alkylation with C4 olefin catalyzed by Bronsted acidic ionic liquid/sulfuric acid被引量：28收藏
- 作者：Zheng, Weizhong Cao, Piao Yuan, Yuan Huang, Chizhou Wang, Zhennan Sun, Weizhen Zhao, Ling
- 机构：East China Univ Sci & Technol;XinJiang Univ
- 来源：CHEMICAL ENGINEERING JOURNAL 2019
- 关键词：Isobutane alkylation Sulfonic-acid-functionalized ionic liquids MD simulations Liquid/liquid interface
- Enhanced Menshutkin SN2 Reactivity in Mesoporous Silica: The Influence of Surface Catalysis and Confinement被引量：28收藏
- 作者：Zheng, Weizhong Yamada, Steven A. Hung, Samantha T. Sun, Weizhen Zhao, Ling Fayer, Michael D.
- 机构：Stanford Univ;East China Univ Sci & Technol
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2020
- 关键词：Hydrogen bonds - Chemical analysis - Electronic structure - Calculations - Molecular dynamics - Interface states - Rate constants - Pore size - Chlorine compounds - Silica - Surface chemistry - Infrared spectroscopy
- Molecular Simulation of the Catalytic Cracking of Hexadecane on ZSM-5 Catalysts Based on Reactive Force Field (ReaxFF)被引量：26收藏
- 作者：Chen, Zhuojun Zhao, Peng Zhao, Ling Sun, Weizhen
- 机构：East China Univ Sci & Technol
- 来源：ENERGY & FUELS 2017
- 关键词：Paraffins - Aluminum - Aluminum compounds - Catalysts - Cracks - Fluid catalytic cracking - Molecules - Silicon compounds - Hydration
- Initial Mechanism and Kinetics of Diesel Incomplete Combustion: ReaxFF Molecular Dynamics Based on a Multicomponent Fuel Model被引量：25收藏
- 作者：Chen, Zhuojun Sun, Weizhen Zhao, Ling
- 机构：East China Univ Sci & Technol;Xinjiang Univ
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2019
- 关键词：Diesel engines - Molecular dynamics - Combustion - Ethylene
- Combustion of Fuel JP8-1: Mechanism and Reaction Kinetics Based on ReaxFF MD被引量：24收藏
- 作者：Liu, Yang Wei, Xin Sun, Weizhen Zhao, Ling
- 机构：East China Univ Sci & Technol;Xinjiang Univ
- 来源：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 2021
- 关键词：Free radical reactions - Fuels - Paraffins - Quantum chemistry - Reaction kinetics - Free radicals - Ethylene - Chemical bonds - Dehydrogenation - Kinetics
- Development of a Free Radical Kinetic Model for Industrial Oxidation of p-Xylene Based on Artificial Neural Network and Adaptive Immune Genetic Algorithm被引量：24收藏
- 作者：Qian, Feng Tao, Lili Sun, Weizhen Du, Wenli
- 机构：E China Univ Chem Technol;E China Univ Chem Technol
- 来源：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 2012
- Multiscale Modeling of Isobutane Alkylation with Mixed C4 Olefins Using Sulfuric Acid as Catalyst被引量：24收藏
- 作者：Cao, Piao Zheng, Lin Sun, Weizhen Zhao, Ling
- 机构：East China Univ Sci & Technol;XinJiang Univ
- 来源：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 2019
- 关键词：Isomerization - Kinetic parameters - Kinetic theory - Butenes - Olefins - Density functional theory - Isomers - Sulfuric acid - Design for testability
- Probing interfacial behaviors of Bronsted acidic ionic liquids improved isobutane alkylation with C4 olefin catalyzed by sulfuric acid被引量：23收藏
- 作者：Sun, Weizhen Zheng, Weizhong Cao, Piao Zhao, Ling
- 机构：East China Univ Sci & Technol;XinJiang Univ
- 来源：CHEMICAL ENGINEERING JOURNAL 2019
- 关键词：MD simulations Bronsted ionic liquids Liquid/liquid interface Isobutane alkylation
- Screening of imidazolium ionic liquids for the isobutane alkylation based on molecular dynamic simulation被引量：22收藏
- 作者：Zheng, Weizhong Zheng, Lin Sun, Weizhen Zhao, Ling
- 机构：East China Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING SCIENCE 2018
- 关键词：Ionic liquids Isobutane alkylation Molecular dynamic simulation Solubility Diffusion
- Understanding the Effective Capture of H2S/CO2 from Natural Gas Using Ionic Liquid@MOF Composites被引量：21收藏
- 作者：Gao, Weiqun Zheng, Weizhong Sun, Weizhen Zhao, Ling
- 机构：East China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2022
- 关键词：Adsorption - Carbon dioxide - Density functional theory - Molecular dynamics - Natural gas
- Promoting the sulfuric acid catalyzed isobutane alkylation by quaternary ammonium ionic liquids被引量：21收藏
- 作者：Cao, Piao Yuan, Yuan Huang, Chizhou Sun, Weizhen Zhao, Ling
- 机构：East China Univ Sci & Technol;XinJiang Univ
- 来源：AICHE JOURNAL 2020
- 关键词：catalysis ionic liquids molecular simulation
- Solubilities of 4-Formylbenzoic Acid in Ethanoic Acid, Water, and Ethanoic Acid/Water Mixtures with Different Compositions from (303.2 to 473.2) K被引量：19收藏
- 作者：Sun, Weizhen Qu, Wanhing Zhao, Ling
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF CHEMICAL AND ENGINEERING DATA 2010
