081701-化学工程
070304-物理化学
081701-化学工程

离子液体构效关系及应用
分子模拟
能源/资源高效清洁转化过程

2004-09--2009-06   北京化工大学   博士
2000-09--2004-06   郑州大学   学士

   

2012-09~现在, 中国科学院过程工程研究所, 副研究员
2009-07~2012-08,中国科学院过程工程研究所, 助理研究员
2004-09~2009-06,北京化工大学, 博士
2000-09~2004-06,郑州大学, 学士

   

（ 1 ） 一种多位点离子液体温和催化合成环状碳酸酯的方法, 2021, 第 9 作者, 专利号: CN112495431A

（ 2 ） 一种金属配位离子液体催化合成环状碳酸酯的方法, 2021, 第 4 作者, 专利号: CN112159387A

（ 3 ） 一种离子液体交联聚合物温和催化合成环状碳酸酯的方法, 2021, 第 5 作者, 专利号: CN112159386A

（ 4 ） 一种羧酸盐离子液体及其制备方法与应用, 2019, 第 5 作者, 专利号: CN110330459A

   

（1） Prominently improved CO2/N2 separation efficiency by ultrathin-ionic-liquid-covered MXene membrane, SEPARATION AND PURIFICATION TECHNOLOGY, 2023, 通讯作者
（2） Mixed matrix membranes containing Cu-based metal organic framework and functionalized ionic liquid for efficient NH3 separation, JOURNAL OF MEMBRANE SCIENCE, 2022, 第 7 作者
（3） 离子液体的凝聚态化学研究, Research of Condensed Matter Chemistry on Ionic Liquids, 化学进展, 2022, 第 2 作者
（4） Insight into CO2/CH4 separation performance in ionic liquids/polymer membrane from molecular dynamics simulation, JOURNAL OF MOLECULAR LIQUIDS, 2022, 通讯作者
（5） Efficient separation of CO2/CH4 by ionic liquids confined in graphene oxide: A molecular dynamics simulation, SEPARATION AND PURIFICATION TECHNOLOGY, 2022, 通讯作者
（6） Simulation and assessment of manufacturing ethylene carbonate from ethylene oxide in multiple process routes, Simulation and assessment of manufacturing ethylene carbonate from ethylene oxide in multiple process routes, CHINESE JOURNAL OF CHEMICAL ENGINEERING, 2021, 第 2 作者
（7） Technical-environmental assessment of CO2 conversion process to dimethyl carbonate/ethylene glycol, JOURNAL OF CLEANER PRODUCTION, 2021, 通讯作者
（8） Mechanisms behind high CO2/CH4 selectivity using ZIF-8 metal organic frameworks with encapsulated ionic liquids: A computational study, CHEMICAL ENGINEERING JOURNAL, 2021, 第 5 作者
（9） Molecular level understanding of CO2 capture in ionic liquid/polyimide composite membrane, FRONTIERS OF CHEMICAL SCIENCE AND ENGINEERING, 2021, 通讯作者
（10） Highly efficient and reversible absorption of NH3 by dual-functionalized ionic liquids with protic and Lewis acidic sites, Journal of Molecular Liquids, 2020, 第 4 作者
（11） CO2合成重要化学品新技术研究进展, Research Progress of New Technologies of CO Utilization for High Value-added Chemicals, 中国基础科学, 2020, 第 1 作者
（12） 离子液体MmimDMP与DMSO/乙腈二元体系的密度和黏度, Densities and viscosities of binary system containing 1,3-dimethylimidazolium dimethylphosphate and dimethyl sulfoxide or acetonitrile, 化工学报, 2020, 第 3 作者
（13） Development of a coarse-grained force field model of polymeric 1-vinyl-3-ethylimidazolium tetrafluoroborate ionic liquids, CHEMICAL PHYSICS LETTERS, 2020, 第 5 作者
（14） Insight into the Relationship between Viscosity and Hydrogen Bond of a Series of Imidazolium Ionic Liquids: A Molecular Dynamics and Density Functional Theory Study, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2019, 第 4 作者
（15） Efficient adsorption of ammonia by incorporation of metal ionic liquids into silica gels as mesoporous composites, CHEMICAL ENGINEERING JOURNAL, 2019, 第 6 作者
（16） Separation efficiency of co2 in ionic liquids/poly(vinylidene fluoride) composite membrane: a molecular dynamics study, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2019, 通讯作者
（17） Enhanced CO2 capture by binary systems of pyridinium-based ionic liquids and porous ZIF-8 particles, JOURNAL OF CHEMICAL THERMODYNAMICS, 2019, 第 5 作者
（18） Efficient transformation of CO2 to cyclic carbonates using bifunctional protic ionic liquids under mild conditions, GREEN CHEMISTRY, 2019, 第 6 作者
（19） Strategy Combining Free Volume Theory and Fragment Contribution Corresponding State Method for Predicting Viscosities of Ionic Liquids, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2019, 第 3 作者
（20） Insight into the performance of acid gas in ionic liquids by molecular simulation, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2019, 第 1 作者
（21） Viscosity calculation of 1‑ethyl‑3‑methyl‑imidazolium chloride ionic liquids based on three-body potential hydrogen bond model, JOURNAL OF MOLECULAR LIQUIDS, 2018, 第 5 作者
（22） Theoretical studies on glycolysis of poly(ethylene terephthalate) in ionic liquids, RSC ADVANCES, 2018, 第 6 作者
（23） A new era of precise liquid regulation: Quasi-liquid, GREEN ENERGY & ENVIRONMENT, 2017, 第 6 作者
（24） 准液体：从自然认识到精准调控的跨越, 过程工程学报, 2017, 第 6 作者
（25） Elimination of the azeotropic point of acetone and methanol by 1,3-dimethylimidazolium dimethylphosphate: an ab initio calculation study, JOURNAL OF MOLECULAR MODELING, 2017, 第 3 作者
（26） Ionic-Liquid-Based CO2 Capture Systems: Structure, Interaction and Process, CHEMICAL REVIEWS, 2017, 第 4 作者
（27） Effects of water content on the dissolution behavior of wool keratin using 1-ethyl-3-methylimidazolium dimethylphosphate, SCIENCE CHINA-CHEMISTRY, 2017, 第 2 作者
（28） 离子液体溶解纤维素的机理研究, Mechanistic study on the cellulose dissolution in ionic liquids by density functional theory, CHINESE JOURNAL OF CHEMICAL ENGINEERING, 2015, 第 4 作者
（29） SO2-Induced Variations in the Viscosity of Ionic Liquids Investigated by in Situ Fourier Transform Infrared Spectroscopy and Simulation Calculations, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2015, 第 2 作者
（30） Rodlike Micelle Structure and Formation of Ionic liquid in Aqueous Solution by Molecular Simulation, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2015, 第 4 作者
（31） 离子液体结构和作用对粘度的影响, 2015年中国化工学会年会论文集, 2015, 第 1 作者
（32） Mechanistic study on the cellulose dissolution in ionic liquids by density functional theory, CHINESE JOURNAL OF CHEMICAL ENGINEERING, 2015, 第 4 作者
（33） Influence of Microstructure and Interaction on Viscosity of Ionic Liquids, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2015, 第 1 作者
（34） Efficient absorption of ammonia with hydroxyl-functionalized ionic liquids, RSC ADVANCES, 2015, 第 4 作者
（35） Ionic liquid-based green processes for energy production, CHEMICAL SOCIETY REVIEWS, 2014, 第 3 作者
（36） Efficient and reversible capture of SO2 by pyridinium-based ionic liquids, CHEMICAL ENGINEERING JOURNAL, 2014, 第 3 作者
（37） The Hydrogen-Bonding Interactions between 1-Ethyl-3-Methylimidazolium Lactate Ionic Liquid and Methanol, AUSTRALIAN JOURNAL OF CHEMISTRY, 2013, 第 4 作者
（38） Computational studies of the structure and cation-anion interactions in 1-ethyl-3-methylimidazolium lactate ionic liquid, SCIENCE CHINA-CHEMISTRY, 2012, 第 4 作者
（39） 低碳烃高效绿色转化新过程, 中国化学会第28届学术年会第1分会场摘要集, 2012, 第 3 作者
（40） All-atom and united-atom simulations of guanidinium-based ionic liquids, All-atom and united-atom simulations of guanidinium-based ionic liquids, 中国科学：化学英文版, 2012, 第 2 作者
（41） Carbon capture with ionic liquids: overview and progress, ENERGY & ENVIRONMENTAL SCIENCE, 2012, 第 2 作者
（42） All-atom and united-atom simulations of guanidinium-based ionic liquids, SCIENCE CHINA-CHEMISTRY, 2012, 第 2 作者
（43） Microstructures and Interaction Analyses of Phosphonium-Based Ionic Liquids: A Simulation Study, JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 第 3 作者
（44） Understanding the interactions between tris(pentafluoroethyl)- trifluorophosphate-based ionic liquid and small molecules from molecular dynamics simulation, Understanding the interactions between tris(pentafluoroethyl)- trifluorophosphate-based ionic liquid and small molecules from molecular dynamics simulation, 中国科学：化学英文版, 2012, 第 1 作者
（45） Molecular Simulation on Microstructure of Ionic Liquids in Capture of CO2, Molecular Simulation on Microstructure of Ionic Liquids in Capture of CO2, 过程工程学报, 2011, 第 4 作者
（46） The recent development of CO2 fixation and conversion by ionic liquid, GREENHOUSE GASES-SCIENCE AND TECHNOLOGY, 2011, 第 3 作者
（47） Microscopic Structure, Interaction, and Properties of a Guanidinium-Based Ionic Liquid and Its Mixture with CO2, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2011, 通讯作者
（48） Preparation and Applications of Ionic Liquids, PROGRESS IN CHEMISTRY, 2010, 第 1 作者
（49） 离子液体的制备及应用, Preparation and Applications of Ionic Liquids, 化学进展, 2010, 第 1 作者
（50） United-atom force field for emimlactate and molecular simulation of mixture of emimlactate and water, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 第 3 作者
（51） Absorption of CO2 in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Tris(pentafluoroethyl)trifluorophosphate (hmimFEP): A Molecular View by Computer Simulations, JOURNAL OF PHYSICAL CHEMISTRY B, 2009, 第 1 作者
（52） Screening of ionic liquids to capture CO2 by COSMO-RS and experiments, AICHE JOURNAL, 2008, 第 1 作者

   

（ 1 ） 新型低粘度离子液体的分子设计与合成, 负责人, 国家任务, 2012-01--2014-12
（ 2 ） 离子液体中氢键网络及离子簇的研究, 参与, 国家任务, 2011-01--2013-12
（ 3 ） 离子液体催化降解PET聚酯的基础研究, 参与, 国家任务, 2013-01--2016-12
（ 4 ） 离子液体捕集二氧化碳的应用基础研究, 负责人, 地方任务, 2014-01--2016-12
（ 5 ） 燃煤电站多污染物协同控制技术与集成示范：燃煤电站有机胺烟气脱硫有机胺离子液开发, 负责人, 国家任务, 2013-01--2015-12
（ 6 ） 高效分离CO2的离子液体/聚合物材料的分子设计, 负责人, 国家任务, 2017-01--2020-12
（ 7 ） 负载型离子液体羰基化催化剂规模化制备, 负责人, 国家任务, 2018-05--2021-04
（ 8 ） 二维纳米片/离子液体复合薄膜的微观结构及分离CO2机理研究, 负责人, 国家任务, 2020-01--2023-12

（1） Molecular Level Understanding of CO2 Capture by Ionic Liquid-based Materials   2019-05-13
（2）离子液体结构和作用对粘度的影响   2015 中国化工学会年会   2015-10-16
（3）离子液体结构与粘度之间的构效关系   介尺度问题建模、算法与模拟研讨会   张晓春，张锁江   2015-05-29
（4）Understanding the interactions between Ionic Liquids and CO2 by Ab Initio Calculation   Xiaochun Zhang, Xiaoqian Yao, Xiaomin Liu, Hongyan He, Suojiang Zhang   2012-09-25
（5）Molecular Simulation of A Guanidinium-based Ionic Liquid    第二届全国离子液体与绿色过程学术会议   Xiaochun Zhang, Xiaomin Liu, Xiaoqian Yao, Suojiang Zhang    2011-11-27