张抗


个人信息Personal Information 副教授
教师拼音名称：Zhang Kang
所在单位：化学与材料学院
学历：博士研究生毕业
联系方式：zhangkang@nuist.edu.cn
职称：副教授
毕业院校：新加坡国立大学
学科：化学工程





个人简介Personal Profile 张抗，女，现任南京信息工程大学校聘教授。本科与博士毕业于新加坡国立大学(2020年QS排名第11)化学工程(世界排名第8)专业，围绕化学、环境工程的各类应用进行多年的科学研究。在新加坡国立大学攻读博士期间，师从Jiang Jianwen教授(分子模拟领域国际前5的顶尖专家)，在环境化工、能源存储、水处理领域从事新材料设计与多尺度模拟计算研究。先后在Journal of Materials Chemistry A、AIChE Journal、Journal ofthe American Chemical Society、Nature Communications、AdvancedFunctional Materials 等高水平国际期刊发表学术论文 28 篇。所发表论文被国内外同行引用 1074 次，个人 h 因子为 19。

发表论文
1. Zhang Kang, Nalaparaju Anjaiah, and Jiang Jianwen, “CO₂ Capture inrht Metal-Organic Frameworks: Multiscale Modeling from MolecularSimulation to Breakthrough Prediction”, Journal of Materials ChemistryA, 2015, 3, 16327.
2. Zhang Kang, Zhang Liling, and Jiang Jianwen, “Adsorption of C1–C4Alcohols in Zeolitic Imidazolate Framework-8: Effects of Force Fields,Atomic Charges, and Framework Flexibility”, The Journal of PhysicalChemistry C, 2013, 117, 25628.
3. Zhang Kang, Qiao Zhiwei, and Jiang Jianwen, “Molecular design ofzirconium tetrazolate metal-organic frameworks for CO₂ capture”,Crystal Growth & Design, 2017, 17, 543.
4. Zhang Kang, Nalaparaju Anjaiah, Chen Yifei, and Jiang Jianwen,“Biofuel Purification in Zeolitic Imidazolate Frameworks: the SignificantRole of Functional Groups”, Physical Chemistry Chemical Physics,2014, 16, 9643.
5. Zhang Kang, He Zhongjin, Gupta Krishna M., and Jiang Jianwen,“Computational design of 2D functional covalent-organic frameworkmembranes for water desalination”, Environmental Science: WaterResearch & Technology, 2017, 3, 735.
6. Zhang Kang, Gupta Krishna M., Chen Yifei, and Jiang Jianwen, “BiofuelPurification in GME Zeolitic–Imidazolate Frameworks: from ab initioCalculations to Molecular Simulations”, AIChE Journal, 2015, 61, 2763.
7. Zhang Kang, Chen Yifei, Nalaparaju Anjaiah, and Jiang Jianwen,“Functionalized Metal-Organic Framework MIL-101 for CO₂ Capture:Multi-Scale Modeling from ab initio Calculation and MolecularSimulation to Breakthrough Prediction”, CrystEngComm, 2013, 15,10358.
8. Zhang Kang, Nalaparaju Anjaiah, Chen Yifei, and Jiang Jianwen,“Crucial Role of Blocking Inaccessible Cages in the Simulation of GasAdsorption in a Paddle-Wheel Metal-Organic Framework”, RSCAdvances, 2013, 3, 16152.
9. Dong Jinqiao, Tan Chunxia, Zhang Kang, Liu Yan, Low J. Paul, JiangJianwen, and Cui Yong, “Chiral NH-controlled supramolecularmetallacycles”, Journal of the American Chemical Society, 2017, 139,1554. (First author for simulation work)
10. Wee Lik H., Meledina Maria, Turner Stuart, Tendeloo Dustaaf Van,Zhang Kang, Rodriguez-Albelo L. Marleny, Masala Alessio, BordigaSilvia, Jiang Jianwen, Navarro A. R. Jorge, Kirschhock E. A. Christine,and Martens Johan A., “1D-2D-3D transformation synthesis of ahierarchical metal-organic framework adsorbent for multicomponentalkane separation”, Journal of the American Chemical Society, 2017,139, 819. (First author for simulation work)
11. Dong Jinqiao, Li Xu, Zhang Kang, Yuan Yi Di, Wang Yuxiang, ZhaiLinzhi, Liu Guoliang, Yuan Daqiang, Jiang Jianwen, and Zhao Dan,“Confinement of aggregation induced emission (AIE) molecular rotors inultrathin 2D porous organic nanosheets for enhanced molecularrecognition”, Journal of the American Chemical Society, 2018, 140,4035. (First author for simulation work)
12. Wee Lik H., Li Yanbo, Zhang Kang, Davit Patrizia, Bordiga Silvia, JiangJianwen, Vankelecom Ivo F. J., and Martens Johan A., “Submicrometer-Sized ZIF-71 Filled Organophilic Membranes for Improved BioethanolRecovery: Mechanistic In-Sights by Monte Carlo Simulation and FTIRSpectroscopy”, Advanced Functional Materials, 2015, 25, 516. (InsideFront Cover, first author for simulation work)
13. Peng Yongwu, Gong Tengfei, Zhang Kang, Lin Xiaochao, Liu Yan,Jiang Jianwen, and Cui Yong, “Engineering Chiral Porous Metal-OrganicFrameworks for Enantioselective Adsorption and Separation”, NatureCommunications, 2014, 5. (First author for simulation work)
14. Wang Xuerui, Chi Chenglong, Zhang Kang, Qian Yuhong, GuptaKrishna M., Kang Zixi, Jiang Jianwen, and Zhao Dan, “Reversed thermo-switchable molecular sieving membranes composed of 2D metal-organicnanosheets for gas separation”, Nature Communications, 2017, 8, 14460.(First author for simulation work)
15. Dong Jinqiao, Zhang Kang, Li Xu, Qian Yuhong, Zhu Hai, YuanDaqiang, Xu Qing-Hua, Jiang Jianwen, and Zhao Dan, “Ultrathin two-dimensional porous organic nanosheets with molecular rotors forchemical sensing”, Nature Communications, 2017, 8. (First author forsimulation work)
16. Hu Zhigang, Zhang Kang, Zhang Mei, Guo Zhengang, Jiang Jianwen,and Zhao Dan, “A Combinatorial Approach towards Water-StableMetal–Organic Frameworks for Highly Efficient Carbon DioxideSeparation”, ChemSusChem, 2014, 7, 2791. (Inside Back Cover, firstauthor for simulation work)
17. Li Pei-Zhou, Wang Xiao-Jun, Zhang Kang, Nalaparaju Anjaiah, ZouRuyi, Zou Ruqiang, Jiang Jianwen, and Zhao Yanli, “ ‘Click’-ExtendedNitrogen-Rich Metal-Organic Frameworks and Their High Performancein CO2-Selective Capture”, Chemical Communications, 2014, 50, 4683.(Top 25 Most Downloaded ChemComm Articles, first author forsimulation work)
18. Xiong Shenglin, Xi Baojuan, Zhang Kang, Chen Yifei, Jiang Jianwen,Hu Jiangyong, and Zeng Hua Chun, “Ag Nanoprisms with Ag2SAttachment”, Scientific Reports, 2013, 3:2177. (First author forsimulation work)
19. He Zhongjin, Zhang Kang, Jiang Jianwen, “Formation of CH4 Hydrate ina Mesoporous Metal-organic framework MIL-101: Mechanistic Insightsfrom Microsecond Molecular Dynamics Simulations”, Journal ofPhysical Chemistry Letters, 2019, 10.
20. Wei Wan, Zhang Kang, Qiao Zhiwei, and Jiang Jianwen, “FunctionalizedUiO-66 for the removal of sulfur-containing compounds in gas and liquidmixtures: a molecular simulation study”, Chemical Engineering Journal,2019, 356, 737.
21. Qiao Zhiwei, Zhang Kang, and Jiang Jianwen, “In Silico Screening of4764 Computation-Ready, Experimental Metal–Organic Frameworks forCO2 Separation”, Journal of Materials Chemistry A, 2016, 4, 2105.
22. Gupta Krishna M., Qiao Zhiwei, Zhang Kang, and Jiang Jianwen,“Seawater pervaporation through zeolitic-imidazolate frameworkmembranes: atomistic simulation study”, ACS Applied Materials &Interfaces, 2016, 8, 13392.
23. Shi Qi, Zhang Kang, Lu Ruifeng, and Jiang Jianwen, “Water desalinationand biofuel purification through a thin membrane of polymer of intrinsicmicroporosity: atomistic simulation study”, Journal of MembraneScience, 2018, 545, 49.
24. Splith Tobias, Pantatosaki Evangelia, Kolokathis D. Panagiotis, FrohlichDominik, Zhang Kang, Fuldner Gerrit, Chmelik Christian, Jiang Jianwen,Henninger K. Stefan, Stallmach Frank and Papadopoulos K. George,“Molecular dynamics phenomena of water in MIL-100 as revealed bypulsed filed gradient NMR and atomistic simulation”, Journal of PhysicalChemistry C, 2017, 121, 18065.
25. Gupta Krishna M., Zhang Kang, and Jiang Jianwen, “Glucose Recoveryfrom Aqueous Solutions by Adsorption in Metal–Organic FrameworkMIl-101: A Molecular Simulation Study”, Scientific Reports, 2015, 5,12821..
26. Gupta Krishna M., Zhang Kang, and Jiang Jianwen, “Water Desalinationthrough Zeolitic Imidazolate Framework Membranes: Significant Role ofFunctional Groups”, Langmuir, 2015, 31, 13230.
27. Xu Qi Song, Zhang Kang, and Jiang Jianwen, “Molecular simulation andanalysis of sorption process toward theoretical prediction of liquidpermeation through membranes”, Journal of Physical Chemistry B, 2018,122, 12211.
28. Gupta Krishna M., Zhang Kang, and Jiang Jianwen, “Efficient removalof Pb2+ from aqueous solution by an ionic covalent-organic framework:a molecular simulation study”, Industrial & Engineering ChemistryResearch, 2018, 57, 6477.



教育经历Education Background
工作经历Work Experience
2011.82015.11
新加坡国立大学
化学与生物分子工程
哲学博士
2020年QS排名第11，所学专业世界排名第8
2007.82011.7
新加坡国立大学
化学与生物分子工程
工学学士
2020年QS排名第11，所学专业世界排名第8
暂无内容
研究方向Research Focus
社会兼职Social Affiliations
新型功能晶体材料的高通量智能筛选
新型膜材料的针对膜分离过程的分子动力学模拟
新型功能晶体材料在吸附分离应用中的多尺度模拟
暂无内容

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张抗


个人信息Personal Information 副教授
教师拼音名称：Zhang Kang
所在单位：化学与材料学院
学历：博士研究生毕业
联系方式：zhangkang@nuist.edu.cn
职称：副教授
毕业院校：新加坡国立大学
学科：化学工程







当前位置： 中文主页 >> 科学研究
研究领域
课题组的研究重点是利用计算机模拟技术，针对新型吸附材料和膜材料在能源、环境和制药领域 (如碳基能源捕获、水处理、药物输送等等)开展高通量设计筛选与多尺度模拟研究。由于新材料的不断涌现，在工程应用上尝试各种新型材料是一个费时、费力且分散的过程；因此，计算机多尺度模拟技术能够替代实验对各类新材料在工程应用上的效果进行模拟验证，不仅能极大加快新材料转化为真实应用的步伐，也为高性能新材料的研发和创新提供重要的理论支持，推动我国先进功能材料分子基础的研究与发展。


主要研究领域：
新型功能晶体材料在吸附分离应用中的多尺度模拟。
新型膜材料的针对膜分离过程的分子动力学模拟。
新型功能晶体材料的高通量智能筛选。



论文成果 More>>
Zhang Kang , Nalaparaju Anjaiah , and Jiang Jianwen , CO2 Capture in rht Metal-Organic Frameworks: Multiscale Modeling from Molecular Simulation to Breakthrough Prediction Journal of Materials Chemistry A 2015, 3, 16327.
Zhang Kang , Gupta Krishna M. , Chen Yifei , and Jiang Jianwen , Biofuel Purification in GME Zeolitic–Imidazolate Frameworks: from ab initio Calculations to Molecular Simulations AIChE Journal 2015, 61, 2763.
Zhang Kang , Qiao Zhiwei , and Jiang Jianwen , Molecular design of zirconium tetrazolate metal-organic frameworks for CO2 capture Crystal Growth & Design 2017, 17, 543.
Zhang Kang , He Zhongjin , Gupta Krishna M. , and Jiang Jianwen , Computational design of 2D functional covalent-organic framework membranes for water desalination Environmental Science: Water Research & Technology 2017, 3, 735.
Zhang Kang , Zhang Liling , and Jiang Jianwen , Adsorption of C1–C4 Alcohols in Zeolitic Imidazolate Framework-8: Effects of Force Fields, Atomic Charges, and Framework Flexibility The Journal of Physical Chemistry C 2013, 117, 25628.
Zhang Kang , Nalaparaju Anjaiah , Chen Yifei , and Jiang Jianwen , Biofuel Purification in Zeolitic Imidazolate Frameworks: the Significant Role of Functional Groups Physical Chemistry Chemical Physics 2014, 16, 9643.

专利
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著作成果
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科研项目
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张抗


个人信息Personal Information 副教授
教师拼音名称：Zhang Kang
所在单位：化学与材料学院
学历：博士研究生毕业
联系方式：zhangkang@nuist.edu.cn
职称：副教授
毕业院校：新加坡国立大学
学科：化学工程







研究领域 当前位置： 中文主页 >> 科学研究 >> 研究领域
课题组的研究重点是利用计算机模拟技术，针对新型吸附材料和膜材料在能源、环境和制药领域 (如碳基能源捕获、水处理、药物输送等等)开展高通量设计筛选与多尺度模拟研究。由于新材料的不断涌现，在工程应用上尝试各种新型材料是一个费时、费力且分散的过程；因此，计算机多尺度模拟技术能够替代实验对各类新材料在工程应用上的效果进行模拟验证，不仅能极大加快新材料转化为真实应用的步伐，也为高性能新材料的研发和创新提供重要的理论支持，推动我国先进功能材料分子基础的研究与发展。


主要研究领域：
新型功能晶体材料在吸附分离应用中的多尺度模拟。
新型膜材料的针对膜分离过程的分子动力学模拟。
新型功能晶体材料的高通量智能筛选。

---

张抗


个人信息Personal Information 副教授
教师拼音名称：Zhang Kang
所在单位：化学与材料学院
学历：博士研究生毕业
联系方式：zhangkang@nuist.edu.cn
职称：副教授
毕业院校：新加坡国立大学
学科：化学工程







论文成果 当前位置： 中文主页 >> 科学研究 >> 论文成果
CO2 Capture in rht Metal-Organic Frameworks: Multiscale Modeling from Molecular Simulation to Breakthrough Prediction[J].Journal of Materials Chemistry A,20153:16327
Biofuel Purification in GME Zeolitic–Imidazolate Frameworks: from ab initio Calculations to Molecular Simulations.AIChE Journal,201561:2763
Molecular design of zirconium tetrazolate metal-organic frameworks for CO2 capture.Crystal Growth & Design,201717:543
Computational design of 2D functional covalent-organic framework membranes for water desalination.Environmental Science: Water Research & Technology,20173:735
Adsorption of C1–C4 Alcohols in Zeolitic Imidazolate Framework-8: Effects of Force Fields, Atomic Charges, and Framework Flexibility.The Journal of Physical Chemistry C,**:25628
Biofuel Purification in Zeolitic Imidazolate Frameworks: the Significant Role of Functional Groups.Physical Chemistry Chemical Physics,201416:9643
Functionalized Metal-Organic Framework MIL-101 for CO2 Capture: Multi-Scale Modeling from ab initio Calculation and Molecular Simulation to Breakthrough Prediction.CrystEngComm,201315:10358
Crucial Role of Blocking Inaccessible Cages in the Simulation of Gas Adsorption in a Paddle-Wheel Metal-Organic Framework.RSC Advances,20133:16152
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张抗


个人信息Personal Information 副教授
教师拼音名称：Zhang Kang
所在单位：化学与材料学院
学历：博士研究生毕业
联系方式：zhangkang@nuist.edu.cn
职称：副教授
毕业院校：新加坡国立大学
学科：化学工程







专利 当前位置： 中文主页 >> 科学研究 >> 专利
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张抗


个人信息Personal Information 副教授
教师拼音名称：Zhang Kang
所在单位：化学与材料学院
学历：博士研究生毕业
联系方式：zhangkang@nuist.edu.cn
职称：副教授
毕业院校：新加坡国立大学
学科：化学工程







著作成果 当前位置： 中文主页 >> 科学研究 >> 著作成果
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张抗


个人信息Personal Information 副教授
教师拼音名称：Zhang Kang
所在单位：化学与材料学院
学历：博士研究生毕业
联系方式：zhangkang@nuist.edu.cn
职称：副教授
毕业院校：新加坡国立大学
学科：化学工程







科研项目 当前位置： 中文主页 >> 科学研究 >> 科研项目
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