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
- Energy Applications of Ionic Liquids: Recent Developments and Future Prospects被引量：240收藏
- 作者：Zhou, Teng Gui, Chengmin Sun, Longgang Hu, Yongxin Lyu, Hao Wang, Zihao Song, Zhen Yu, Gangqiang
- 机构：Hong Kong Univ Sci & Technol Guangzhou;Hong Kong Univ Sci & Technol;HKUST Shenzhen Hong Kong Collaborat Innovat Res In;Beijing Univ Chem Technol;Max Planck Inst Dynam Complex Tech Syst
- 来源：CHEMICAL REVIEWS 2023
- 关键词：Aerospace applications - Carbon dioxide - Energy transfer - Functional materials - Heat transfer - Phase change materials
- 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
- 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
- A dilute nitrate electrolyte for all-climate batteries被引量：81收藏
- 作者：You, Haipeng Chen, Jiahui Li, Ruhong Chen, Long Wang, Ke Qiu, Yuxin Jiang, Jiaqing Lin, Yiting Yao, Menglei Yang, Hongming Li, Yuhang Song, Zhen Fan, Xiulin Li, Chunzhong
- 机构： Department of Chemical Engineering; School of Chemical Engineering; Key Laboratory for Ultrafine Materials of Ministry of Education; Shanghai Engineering Research Center of Hierarchical Nanomaterials; State Key Laboratory of Chemical Engineering
- 来源：Joule 2026
- 关键词：Chlorine compounds - Costs - Economic analysis - Electrodes - Fluorine compounds - Graphite - Learning systems - Lithium - Lithium compounds - Nickel compounds - Nitrogen compounds - Phosphorus compounds - Solid electrolytes
- 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
- 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
- Bifunctional imidazole-PTSA deep eutectic solvent for synthesizing long-chain ester IBIBE in reactive extraction被引量：59收藏
- 作者：Qin, Hao Song, Zhen Zeng, Qian Cheng, Hongye Chen, Lifang Qi, Zhiwen
- 机构：East China Univ Sci & Technol
- 来源：AICHE JOURNAL 2019
- 关键词：long-chain ester acid-base tunable deep eutectic solvent reactive extraction phase diagram COSMO-RS
- COSMO-descriptor based computer-aided ionic liquid design for separation processes. Part I: Modified group contribution methodology for predicting surface charge density profile of ionic liquids被引量：57收藏
- 作者：Zhang, Jianan Peng, Daili Song, Zhen Zhou, Teng Cheng, Hongye Chen, Lifang Qi, Zhiwen
- 机构：East China Univ Sci & Technol;Max Planck Inst Dynam Complex Tech Syst
- 来源：CHEMICAL ENGINEERING SCIENCE 2017
- 关键词：Computer-aided ionic liquid design (CAILD) Surface charge density profile (sigma-profile) Molecular descriptor Cavity volume
- Solubility of imidazolium-based ionic liquids in model fuel hydrocarbons: A COSMO-RS and experimental study被引量：55收藏
- 作者：Song, Zhen Zeng, Qian Zhang, Jinwei Cheng, Hongye Chen, Lifang Qi, Zhiwen
- 机构：East China Univ Sci & Technol
- 来源：JOURNAL OF MOLECULAR LIQUIDS 2016
- 关键词：Ionic liquid solubility Fuel hydrocarbon COSMO-RS Molecular interactions Solubility experiment
- Rational design of hydrophobic type Ⅴ deep eutectic solvents as efficient CO2 absorbents被引量：51收藏
- 作者：Qin, Hao Pang, Mintao Cheng, Jie Wang, Jingwen Song, Zhen
- 机构： Shanxi Province Key Laboratory of Chemical Process Intensification; School of Chemical Engineering; School of Chemical and Environmental Engineering
- 来源：Chemical Engineering Science 2025
- 关键词：Chemical potential - Curie temperature - Electron temperature - Molar ratio - Specific heat - Temperature distribution - Thermodynamic stability - Water temperature
- Capturing CO2 by ionic liquids and deep eutectic solvents: A comparative study based on multi-level absorbent screening被引量：48收藏
- 作者：Cheng, Jie Xie, Kunchi Guo, Pengyu Qin, Hao Deng, Liyuan Qi, Zhiwen Song, Zhen
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Otto von Guericke Univ;Norwegian Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING SCIENCE 2023
- 关键词：Ionic liquid Deep eutectic solvent Multi-level absorbent screening Absorption experiments IGM analysis CO2 capture
- Selection of deep eutectic solvents for extractive deterpenation of lemon essential oil被引量：46收藏
- 作者：Qin, Zexian Cheng, Hongye Song, Zhen Ji, Lijun Chen, Lifang Qi, Zhiwen
- 机构：East China Univ Sci & Technol
- 来源：JOURNAL OF MOLECULAR LIQUIDS 2022
- 关键词：Deep eutectic solvent Lemon essential oil Extractive deterpenation COSMO-RS evaluation Liquid-liquid extraction
- Computer-aided molecular design of solvents for chemical separation processes被引量：45收藏
- 作者：Chai, Shiyang Song, Zhen Zhou, Teng Zhang, Lei Qi, Zhiwen
- 机构：Dalian Univ Technol;East China Univ Sci & Technol;Max Planck Inst Dynam Complex Tech Syst;Otto von Guericke Univ
- 来源：CURRENT OPINION IN CHEMICAL ENGINEERING 2022
- 关键词：Distillation - Design - Optimization - Chemical industry - Gas absorption - Process design
- Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC被引量：44收藏
- 作者：Chen, Guzhong Song, Zhen Qi, Zhiwen
- 机构：East China Univ Sci & Technol;Otto von Guericke Univ;Max Planck Inst Dynam Complex Tech Syst
- 来源：CHEMICAL ENGINEERING SCIENCE 2021
- 关键词：Deep learning Molecular fingerprints Convolutional neural networks COSMO-SAC sigma-profile prediction High-throughput solvent screening
- Effect of cation alkyl chain length on liquid-liquid equilibria of {ionic liquids + thiophene + heptane}: COSMO-RS prediction and experimental verification被引量：40收藏
- 作者：Song, Zhen Zhang, Jingjing Zeng, Qian Cheng, Hongye Chen, Lifang Qi, Zhiwen
- 机构： Max Planck Partner Group at the State Key Laboratory of Chemical Engineering
- 来源：Fluid Phase Equilibria 2016
- 关键词：Positive ions - Thiophene - Chain length - Heptane - Desulfurization - Extraction - Negative ions
- Toward reactive extraction processes for synthesizing long-chain esters: A general approach by tuning bifunctional deep eutectic solvent被引量：31收藏
- 作者：Wang, Ruizhuan Qin, Hao Song, Zhen Cheng, Hongye Chen, Lifang Qi, Zhiwen
- 机构：East China Univ Sci & Technol;Otto von Guericke Univ
- 来源：CHEMICAL ENGINEERING JOURNAL 2022
- 关键词：Esterification Reactive extraction Bifunctional solvent Deep eutectic solvent COSMO-RS
- Rational Screening of Deep Eutectic Solvents for the Direct Extraction of α-Tocopherol from Deodorized Distillates被引量：26收藏
- 作者：Cheng, Jie Qin, Hao Cheng, Hongye Song, Zhen 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 2022
- 关键词：deep eutectic solvent screening alpha-tocopherol extraction COSMO-RS extraction potential estimation solid-liquid equilibria prediction phase splitting check EHS impact assessment experimental validation
- Elucidating the transition between CO2 physisorption and chemisorption in 1,2,4-triazolate ionic liquids at a molecular level被引量：26收藏
- 作者：Hu, Xutao Yang, Xuemei Chen, Lifang Mei, Mingcan Song, Zhen Fei, Zhaofu Dyson, Paul J. Qi, Zhiwen
- 机构：East China Univ Sci & Technol;Ecole Polytech Fed Lausanne EPFL
- 来源：CHEMICAL ENGINEERING JOURNAL 2022
- 关键词：CO2 capture Ionic liquids C-13 isotopic labelling Spectroscopy Modelling
- Effect of water on extractive desulfurization of fuel oils using ionic liquids: A COSMO-RS and experimental study被引量：25收藏
- 作者：Song, Zhen Yu, Dian Zeng, Qian Zhang, Jingjing Cheng, Hongye Chen, Lifang Qi, Zhiwen
- 机构：East China Univ Sci & Technol
- 来源：CHINESE JOURNAL OF CHEMICAL ENGINEERING 2017
- 关键词：Extractive desulfurization Ionic liquids COSMO-RS Water content effect
- Hierarchical Ionic Liquid Screening Integrating COSMO-RS andAspen Plus for Selective Recovery of Hydrofluorocarbons andHydrofluoroolefins from a Refrigerant Blend被引量：24收藏
- 作者：Qin, Hao Cheng, Jie Yu, Hantao Zhou, Teng Song, Zhen
- 机构：East China Univ Sci & Technol;Otto von Guericke Univ;Max Planck Inst Dynam Complex Tech Syst
- 来源：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 2022
- 关键词：Computer software - Recovery - Refrigerants - Fluorocarbons - Global warming - Solubility
- Enhancing aromatics extraction by double salt ionic liquids: Rational screening-validation and mechanistic insights被引量：24收藏
- 作者：Xie, Kunchi Chen, Jiahui Cheng, Jie Wang, Ruizhuang Cheng, Hongye Qi, Zhiwen Zhu, Kake Song, Zhen
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：AICHE JOURNAL 2024
- 关键词：aromatics extraction double salt ionic liquids LLE experiment mechanistic analysis solvent screening-validation
- Prediction of Electrical Conductivity of Ionic Liquids: From COSMO-RS Derived QSPR Evaluation to Boosting Machine Learning被引量：23收藏
- 作者：Chen, Zixin Chen, Jiahui Qiu, Yuxin Cheng, Jie Chen, Long Qi, Zhiwen Song, Zhen
- 机构：East China Univ Sci & Technol
- 来源：ACS SUSTAINABLE CHEMISTRY & ENGINEERING 2024
- 关键词：ionic liquid electrolyte electrical conductivity COSMO-RS derived QSPR boosting machine learning
- Precise molecular sieving using metal-doped ultramicroporous carbon membranes for H2 separation被引量：23收藏
- 作者：Zhao, Guanran Wang, Kaixin Fang, Chuning Wang, Yixing Wang, Darui Song, Zhen Lei, Linfeng Xu, Zhi
- 机构：East China Univ Sci & Technol;Suzhou Lab;Sinopec Shanghai Res Inst Petrochem Technol Co Ltd
- 来源：AICHE JOURNAL 2024
- 关键词：carbon molecular sieve membranes hollow fiber membranes hydrogen separation and purification membrane materials membrane separations
- Multidentate Chelating Ligands Enable High-Performance Zinc-Bromine Flow Batteries被引量：20收藏
- 作者：Xia, Weicheng Xie, Kunchi Gao, Shang Song, Zhen Chen, Long Li, Chunzhong
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Shanghai Jiao Tong Univ
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2025
- 关键词：zinc-bromine flow batteries electrolyte additive zinc dendrite HER EDTMPA
- CO2 capture by 1-ethyl-3-methylimidazolium acetate: Solubility at low pressure and quantification of chemisorption and physisorption被引量：19收藏
- 作者：Mei, Mingcan Hu, Xutao Song, Zhen Chen, Lifang Deng, Liyuan Qi, Zhiwen
- 机构：East China Univ Sci & Technol;Norwegian Univ Sci & Technol
- 来源：JOURNAL OF MOLECULAR LIQUIDS 2022
- 关键词：CO2 absorption Ionic liquids Chemi-physisorption Chemisorption and physisorption quantification Quantitative NMR
