成果/Result
- Computer-Aided Molecular Design of Ionic Liquids as Advanced Process Media: A Review from Fundamentals to Applications被引量：545收藏
- 作者：Song, Zhen Chen, Jiahui Cheng, Jie Chen, Guzhong Qi, Zhiwen
- 机构： State Key laboratory of Chemical Engineering
- 来源：Chemical Reviews 2024
- 关键词：Physicochemical properties
- Overview of acidic deep eutectic solvents on synthesis, properties and applications被引量：399收藏
- 作者：Qin, Hao Hu, Xutao Wang, Jingwen Cheng, Hongye Chen, Lifang Qi, Zhiwen
- 机构：East China Univ Sci & Technol
- 来源：GREEN ENERGY & ENVIRONMENT 2020
- 关键词：Acidic deep eutectic solvent Bronsted acidity Lewis acidity Green chemistry
- Computer-Aided Design of Ionic Liquids as Solvents for Extractive Desulfurization被引量：161收藏
- 作者：Song, Zhen Zhang, Chenyue Qi, Zhiwen Zhou, Teng Sundmacher, Kai
- 机构：East China Univ Sci & Technol;Max Planck Inst Dynam Complex Tech Syst;Otto von Guericke Univ
- 来源：AICHE JOURNAL 2018
- 关键词：ionic liquid design extractive desulfurization UNIFAC-IL mixed-integer nonlinear programming process simulation
- Systematic Method for Screening Ionic Liquids as Extraction Solvents Exemplified by an Extractive Desulfurization Process被引量：117收藏
- 作者：Song, Zhen Zhou, Teng Qi, Zhiwen Sundmacher, Kai
- 机构：East China Univ Sci & Technol;Max Planck Inst Dynam Complex Tech Syst;Otto von Guericke Univ
- 来源：ACS SUSTAINABLE CHEMISTRY & ENGINEERING 2017
- 关键词：Ionic liquids screening Liquid-liquid equilibrium Physical property Process simulation Extractive desulfurization
- Screening of ionic liquids for solvent-sensitive extraction -with deep desulfurization as an example被引量：117收藏
- 作者：Song, Zhen Zhou, Teng Zhang, Jianan Cheng, Hongye Chen, Lifang Qi, Zhiwen
- 机构：E China Univ Sci & Technol;Max Planck Inst Dynam Complex Tech Syst
- 来源：CHEMICAL ENGINEERING SCIENCE 2015
- 关键词：Ionic liquid screening Solvent-sensitive systems Ionic liquid solubility COSMO-RS Extractive desulfurization
- Prediction of CO2 solubility in deep eutectic solvents using random forest model based on COSMO-RS-derived descriptors被引量：111收藏
- 作者：Wang, Jingwen Song, Zhen Chen, Lifang Xu, Tao Deng, Liyuan Qi, Zhiwen
- 机构：Guangzhou Univ;East China Univ Sci & Technol;Norwegian Univ Sci & Technol
- 来源：GREEN CHEMICAL ENGINEERING 2021
- 关键词：CO 2 solubility prediction Deep eutectic solvents Quantitative structure-property relationship model COSMO-RS-derived descriptors Random forest
- Applications of deep eutectic solvents for hard-to-separate liquid systems被引量：101收藏
- 作者：Cheng, Hongye Qi, Zhiwen
- 机构：East China Univ Sci & Technol
- 来源：SEPARATION AND PURIFICATION TECHNOLOGY 2021
- 关键词：Deep eutectic solvent Solute polarity Liquid-liquid extraction Associative extraction Separation mechanism COSMO-RS DES stability DES recycling
- Screening deep eutectic solvents for extractive desulfurization of fuel based on COSMO-RS model被引量：100收藏
- 作者：Cheng, Hongye Liu, Chongyang Zhang, Jingjing Chen, Lifang Zhang, Bingjian Qi, Zhiwen
- 机构：East China Univ Sci & Technol;Sun Yat Sen Univ
- 来源：CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION 2018
- 关键词：Deep eutectic solvent COSMO-RS Dibenzothiophene alpha-profile Extractive desulfurization
- Carbon Dioxide Solubility in Phosphonium-based Deep Eutectic Solvents: An Experimental and Molecular Dynamics Study被引量：97收藏
- 作者：Wang, Jingwen Cheng, Hongye Song, Zhen Chen, Lifang Deng, Liyuan Qi, Zhiwen
- 机构：East China Univ Sci & Technol;Max Planck Inst Dynam Complex Tech Syst;Otto von Guericke Univ;Norwegian Univ Sci & Technol
- 来源：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 2019
- 关键词：Distribution functions - Molecular dynamics - Hydrogen bonds - Glycols - Carbon dioxide - Eutectics - Ionic liquids - Molar ratio
- Boosting Hydrogen Peroxide Electrosynthesis via Modulating the Interfacial Hydrogen-Bond Environment被引量：87收藏
- 作者：Fang, Yushuang Fan, Yu Xie, Kunchi Ge, Wangxin Zhu, Yihua Qi, Zhiwen Song, Zhen Jiang, Hongliang Li, Chunzhong
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2023
- 关键词：Electrode-Electrolyte Interface Electrolyte H2O2 Electrosynthesis Hydrogen-Bond Network Oxygen Reduction Reaction
- Systematic Screening of Deep Eutectic Solvents as Sustainable Separation Media Exemplified by the CO2 Capture Process被引量：86收藏
- 作者：Song, Zhen Hu, Xutao Wu, Hongyi Mei, Mingcan Linke, Steffen Zhou, Teng Qi, Zhiwen Sundmacher, Kai
- 机构：Otto von Guericke Univ;Max Planck Inst Dynam Complex Tech Syst;East China Univ Sci & Technol
- 来源：ACS SUSTAINABLE CHEMISTRY & ENGINEERING 2020
- 关键词：deep eutectic solvent freezing point depression correlation EHS impact estimation COSMO-RS CO2 capture
- Multilevel screening of ionic liquid absorbents for simultaneous removal of CO2 and H2S from natural gas被引量：82收藏
- 作者：Wang, Jingwen Song, Zhen Cheng, Hongye Chen, Lifang Deng, Liyuan Qi, Zhiwen
- 机构：East China Univ Sci & Technol;Max Planck Inst Dynam Complex Tech Syst;Otto von Guericke Univ;Norwegian Univ Sci & Technol
- 来源：SEPARATION AND PURIFICATION TECHNOLOGY 2020
- 关键词：Ionic liquid screening Simultaneous acidic gas removal Henry's law constant Vapor-liquid equilibria Process simulation
- Computer-aided ionic liquid design for alkane/cycloalkane extractive distillation process被引量：80收藏
- 作者：Song, Zhen Li, Xinxin Chao, He Mo, Fan Zhou, Teng Cheng, Hongye Chen, Lifang Qi, Zhiwen
- 机构：East China Univ Sci & Technol;Max Planck Inst Dynam Complex Tech Syst
- 来源：GREEN ENERGY & ENVIRONMENT 2019
- 关键词：CAILD Alkane/cycloalkane extractive distillation UNIFAC-IL MINLP Process performance and economics
- Deep eutectic solvents as a versatile platform toward CO2 capture and utilization被引量：79收藏
- 作者：Ruan, Jiawei Chen, Lifang Qi, Zhiwen
- 机构：East China Univ Sci & Technol
- 来源：GREEN CHEMISTRY 2023
- 关键词：Computer aided analysis - Cycloaddition - Electrocatalysts - Eutectics - Solvents - Thermoanalysis - Water absorption
- Computer-aided ionic liquid design for separation processes based on group contribution method and COSMO-SAC model被引量：77收藏
- 作者：Peng, Daili Zhang, Jianan Cheng, Hongye Chen, Lifang Qi, Zhiwen
- 机构：East China Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING SCIENCE 2017
- 关键词：Computer-aided ionic liquid design COSMO-SAC Group contribution MINLP Separation process CO2 absorption
- Extending the UNIFAC model for ionic liquid-solute systems by combining experimental and computational databases被引量：76收藏
- 作者：Song, Zhen Zhou, Teng Qi, Zhiwen Sundmacher, Kai
- 机构：Max Planck Inst Dynam Complex Tech Syst;Otto von Guericke Univ;East China Univ Sci & Technol
- 来源：AICHE JOURNAL 2020
- 关键词：COSMO-RS infinite dilution activity coefficient ionic liquids LLE VLE UNIFAC-IL
- Facile synthesis of sulfate-doped Ag3PO4 with enhanced visible light photocatalystic activity被引量：75收藏
- 作者：Cao, Wenrong Gui, Zhenyou Chen, Lifang Zhu, Xuedong Qi, Zhiwen
- 机构：East China Univ Sci & Technol
- 来源：APPLIED CATALYSIS B-ENVIRONMENTAL 2017
- 关键词：Sulfate doping Precipitation Ag3PO4 Visible light Photocatalysis
- COSMO-RS prediction and experimental verification of 1,5-pentanediamine extraction from aqueous solution by ionic liquids被引量：74收藏
- 作者：Jiang, Chenhao Cheng, Hongye Qin, Zexian Wang, Ruizhuan Chen, Lifang Yang, Chen Qi, Zhiwen Liu, Xiucai
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Cathay Biotech Inc
- 来源：GREEN ENERGY & ENVIRONMENT 2021
- 关键词：1,5-Pentanediamine Ionic liquids Aqueous solution Extraction COSMO-RS model
- Isobaric Vapor–Liquid Equilibrium for Binary System of N-Methyl-2-pyrrolidone + γ-Butyrolactone at 10.0, 20.0, and 101.3 kPa被引量：74收藏
- 作者：He, Long Qin, Lei Chen, Liang Chen, Lifang Qi, Zhiwen
- 机构： State Key Laboratory of Chemical Engineering and Low-Carbon Technology; State Key Laboratory of Green Chemical Engineering and Industrial Catalysis
- 来源：Journal of Chemical and Engineering Data 2026
- 关键词：Binary mixtures - Phase equilibria - Thermodynamic properties - Wide band gap semiconductors
- Visible-light-driven Ag2MoO4/Ag3PO4 composites with enhanced photocatalytic activity被引量：72收藏
- 作者：Cao, Wenrong An, Yanting Chen, Lifang Qi, Zhiwen
- 机构：East China Univ Sci & Technol
- 来源：JOURNAL OF ALLOYS AND COMPOUNDS 2017
- 关键词：Ag2MoO4 Ag3PO4 Visible light Degradation Photocatalysis
- Computer-Aided Design of Ionic Liquids as Absorbent for Gas Separation Exemplified by CO2 Capture Cases被引量：71收藏
- 作者：Wang, Jingwen Song, Zhen Cheng, Hong-Ye Chen, Lifang Deng, Liyuan Qi, Zhiwen
- 机构：East China Univ Sci & Technol;Max Planck Inst Dynam Complex Tech Syst;Norwegian Univ Sci & Technol
- 来源：ACS SUSTAINABLE CHEMISTRY & ENGINEERING 2018
- 关键词：Computer-aided ionic liquid design Gas absorbent MINLP Absorption-Selectivity-Desorption index CO2 capture
- Deep Separation of Benzene from Cyclohexane by Liquid Extraction Using Ionic Liquids as the Solvent被引量：70收藏
- 作者：Zhou, Teng Wang, Ziyun Ye, Yinmei Chen, Lifang Xu, Jing Qi, Zhiwen
- 机构：E China Univ Sci & Technol
- 来源：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 2012
- 关键词：Atmospheric pressure - Efficiency - Benzene - Phase equilibria - Solvent extraction - Ionic liquids
- Advances of Ionic Liquids and Deep Eutectic Solvents in Green Processes of Biomass-Derived 5-Hydroxymethylfurfural被引量：66收藏
- 作者：Chen, Lifang Xiong, Yuhang Qin, Hao Qi, Zhiwen
- 机构：East China Univ Sci & Technol;Otto von Guericke Univ
- 来源：CHEMSUSCHEM 2022
- 关键词：5-hydroxymethylfurfural biomass deep eutectic solvents ionic liquids sustainable chemistry
- Rational design of double salt ionic liquids as extraction solvents: Separation of thiophene/n-octane as example被引量：65收藏
- 作者：Song, Zhen Hu, Xutao Zhou, Yageng Zhou, Teng Qi, Zhiwen Sundmacher, Kai
- 机构：Max Planck Inst Dynam Complex Tech Syst;East China Univ Sci & Technol;Otto von Guericke Univ
- 来源：AICHE JOURNAL 2019
- 关键词：COSMO-RS double salt ionic liquids liquid-liquid equilibrium solvent design thiophene n-octane separation
- 1-Butyl-1-Methylpyrrolidinium-based Ionic Liquids for Integrated Co2 Absorption and Transformation into Dimethyl Carbonate被引量：64收藏
- 作者：Chen, Lifang Zhang, Wanting Ruan, Jiawei Wu, Xinzi Liu, Qian Xie, Kunchi Qi, Zhiwen
- 机构： Max Planck Partner Group; State Key laboratory of Chemical Engineering and Low-carbon Technology
- 来源：SSRN 2025
- 关键词：Carbon capture - Carbon capture and storage - Carbon capture and utilization - Carbon dioxide - Carbonation - Chemical activation - Chemical bonds - Density functional theory - Extraction - Negative ions - Phase transitions - Reaction intermediates
- Extractive Mechanism and Process Design of Hydroxyl-Functionalized Pyridinium-based Ionic Liquids for Separating m-Cresol and Cumene被引量：62收藏
- 作者：Liu, Qian Zhang, Xianglan Qi, Zhiwen
- 机构： State Key Laboratory of Chemical Engineering; School of Chemical and Environmental Engineering
- 来源：ACS Sustainable Chemistry and Engineering 2024
- 关键词：Computer software - Energy utilization - Hydrogen bonds - Ionic liquids - Physical properties - Process design - Quantum chemistry - Wave functions
- Computer-aided design and process evaluation of ionic liquids for n-hexane-methylcyclopentane extractive distillation被引量：62收藏
- 作者：Chao, He Song, Zhen Cheng, Hongye Chen, Lifang Qi, Zhiwen
- 机构：East China Univ Sci & Technol
- 来源：SEPARATION AND PURIFICATION TECHNOLOGY 2018
- 关键词：Ionic liquid design N-hexane-methylcyclopentane Extractive distillation MINLP-CAMD Process simulation
- A large extension of the modified UNIFAC model for IL–solute systems by combining hybrid activity coefficient databases被引量：60收藏
- 作者：Gu, Ruofan Chen, Jiahui Cheng, Jie Chen, Guzhong Zhou, Teng Qi, Zhiwen Zhu, Yi-An Song, Zhen
- 机构： State Key Laboratory of Chemical Engineering; Department of Chemical Engineering; Sustainable Energy and Environment Thrust
- 来源：Separation and Purification Technology 2025
- Model-based method for the screening of solvents for chemical reactions被引量：60收藏
- 作者：Zhou, Teng Qi, Zhiwen Sundmacher, Kai
- 机构：Max Planck Inst Dynam Complex Tech Syst;E China Univ Sci & Technol;Univ Magdeburg
- 来源：CHEMICAL ENGINEERING SCIENCE 2014
- 关键词：Solvent selection Chemical reactions COSMO-RS Molecular descriptors Quantitative structure-property relationship
- Efficient Aerobic Oxidation of 5-Hydroxymethylfurfural in Aqueous Media with Au-Pd Supported on Zinc Hydroxycarbonate被引量：59收藏
- 作者：Gui, Zhenyou Cao, Wenrong Saravanamurugan, Shunmugavel Riisager, Anders Chen, Lifang Qi, Zhiwen
- 机构：East China Univ Sci & Technol;Tech Univ Denmark;Ctr Innovat & Appl Bioproc
- 来源：CHEMCATCHEM 2016
- 关键词：alloys basicity biomass oxidation zinc
