张磊

基本信息Personal Information

副教授

硕士生导师

性别:男

毕业院校:清华大学

学位:博士

在职信息:在职

所在单位:化工学院

学科:化学工程

办公地点:西部校区化工实验楼D408

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个人简介Personal Profile

张磊    博士    副教授    硕士生导师


Email: keleiz@dlut.edu.cn

专业:化学工程

地址:辽宁省大连市大连理工大学西部校区化工实验楼D408

Research Gate: https://www.researchgate.net/profile/Lei_Zhang329

ORCID ID: 0000-0002-7519-2858


近期新闻


·   大连理工大学张磊副教授荣获Computers & Chemical Engineering杂志2017年最佳论文奖

·   张磊受邀参加ICFMCE2018国际会议并进行主旨报告

·   张磊、刘奇磊参加2018 AIChE国际会议

·   丹麦技术大学Rafiqul Gani院士及Anjan Kumar Tula博士来访我校

·   都健、刘琳琳、张磊赴美国圣地亚哥参加PSE2018国际会议

·   [more]


研究团队


博士生:

·   刘奇磊

·   柴士阳

硕士生:

·   梁馨元

·   毛海涛

·   庞俊卿

·   仪桐辛

·   赵红庆


教育科研经历


·   2005.9~2009.7  清华大学化学工程系    本科

·   2009.9~2014.7  清华大学化学工程系    博士(导师:陈丙珍 院士 [link]

·   2013.8~2014.2  卡内基梅隆大学化工系 访问学者(导师:Prof. Ignacio E. Grossmann [link]

·   2014.9~2015.12 丹麦技术大学化工系   博士后(导师:Prof. Rafiqul Gani [link]

·   2016.1~2017.2  香港科技大学化工系    博士后(导师:吴嘉名 教授 [link]

·   2017.3~至今    大连理工大学化工学院  副教授


研究方向


·   化工过程与产品设计

·   化工过程优化

·   多尺度模型建模与求解

·   能量系统优化


科研情况


张磊,大连理工大学化工系统工程研究所副教授,硕士生导师。主要从事化工产品—过程设计相关研究工作。目前,在国内外学术期刊和学术会议上发表与化工产品设计、过程设计与优化等相关的学术论文、书籍章节等总计38篇,其中被SCIEI检索收录22篇,总计被引用213次(Google学术数据)。获得2017Computers & Chemical Engineering Best Paper Award.

2009.92014.7期间师从清华大学陈丙珍院士进行了博士论文工作,从事基于自由基机理模型的乙烯裂解炉裂解过程模拟与优化的研究。该项目相关工作获得国家科技进步二等奖。在读博士期间,本人于卡内基梅隆大学I. E. Grossmann教授研究组访学,利用两层优化模型对竞争行为进行建模与求解,为Air Products的研发工作提供了技术指导。

2014.92015.12期间,本人于丹麦技术大学R. Gani教授研究组进行博士后研究,课题为计算机辅助产品与过程设计,作为项目主要参与者,对产品设计进行了深入的研究。在此工作中,以第一作者受邀在权威杂志Annual Review of Chemical and Biomolecular Engineering发表了综述论文“产品与过程设计的历史、方法与展望”。在期刊Computers & Chemical Engineering以第一作者发表有关利用高阶基团贡献法建立新产品—过程设计优化模型的论文。

2016.12017.2,本人于香港科技大学吴嘉名教授课题组进行博士后研究,课题为多尺度产品设计。在化工产品设计中,考虑包括配方选择、微观结构、过程设计、政策及经济等模型,提出了针对多种类型配方产品设计通用框架。于期刊Computers & Chemical Engineering发表2篇文章,并受邀在Reviews in Chemical Engineering发表综述文章。

2017.3~至今,本人于大连理工大学化工系统工程研究所担任副教授,进行化工产品—过程设计研究。本研究团队目前针对制药过程中反应及结晶溶剂机理模型与溶剂设计、基于分子动力学的聚合物产品设计、基于机器学习的产品设计方法、以及产品—过程设计模型开展研究工作。


科研项目


·   基于晶体生长机理模型的制药过程结晶溶剂设计方法研究(21808025), 2019.1~2021.12, 国家自然科学基金青年科学基金项目, 主持, 在研

·   功能性化工产品设计方法研究(DUT17RC(3)008), 2017.3~2018.12, 大连理工大学基本科研业务费(引进人才科研专题), 主持, 在研

·   万吨级促进剂MBT连续化生产精制溶剂选择与过程设计, 2018.4~2019.1, 企业合作项目, 主持, 在研

·   《化工过程分析与合成》数字课程, 2018.7~2018.12, 大连理工大学教材建设出版基金项目, 主持, 在研


获得奖励


·   2017 Best Paper Award of Journal Computers & Chemical Engineering

·   2017 第十六届中国化工学会信息技术应用专业委员会年会优秀论文

·   2015 Outstanding reviewer of Journal Computers & Chemical Engineering


社会兼职


     ·   International expert of PSE for SPEED Company [link]

·   2018年中国过程系统工程年会分会场主席

·   中国化工学会信息技术应用专业委员会青年委员

·   中国系统工程学会会员

·   Member of the scientific committee for ESCAPE-29 conference [link]

·   Member of the scientific committee for ICFMCE 2018 conference [link]

·   Member of the scientific committee for ESCAPE-28 conference [link]

·   Reviewer of Computers & Chemical Engineering, Reviews in Chemical Engineering, Applied Mathematical Modelling, International Journal of Chemical KineticsChinese Journal of Chemical Engineering

·   计算机与应用化学、高校化工学报期刊审稿人

·   江苏启东滨江精细化工园区副主任、启隆镇科技副镇长(挂职)


口头报告


·     Zhang, L., An Optimization-Based Computer-Aided Molecular and Mixture Design Framework. ICFMCE 2018 Conference. Abu Dhabi, UAE. Nov. 20-22, 2018. (Keynote presentation[link]

·     梁馨元,张磊*,刘琳琳,都健. 基于分子动力学的橡胶聚合物计算机辅助设计方法. 2018年中国过程系统工程年会. 青海,西宁. 2018822-24. (主旨报告)

·     刘奇磊,冯锟,刘琳琳,都健,孟庆伟,张磊*. 基于Dragon描述符与改进的决策树—遗传算法的反应溶剂设计方法. 2018年中国过程系统工程年会. 青海,西宁. 2018822-24. (主旨报告)

·     Zhang, L.*, Mao, H., Liu, L., Du, J., Gani, R. Fragrance Product Design/Screening Methods Using an Integrated Machine Learning and CAMD Model. 2018 AIChE Annual Meeting. Pittsburgh, PA, USA. Oct. 26-Nov. 2. (Oral presentation)

·     Liu, Q., Zhang, L.*, Liu, L., Du, J., Liang, X., Mao, H., Meng, Q. GC-COSMO based Reaction Solvent Design with New Kinetic Model using CAMD. Proceedings of the 13th International Symposium on Process Systems Engineering – PSE 2018. San Diego, California, USA. July 1-5, 2018. (Oral presentation)


发表论文


2018:

·     Zhang, S., Liu, L., Zhang, L., Zhuang, Y., Du, J.* (2018). An optimization model for carbon capture utilization and storage supply chain: A case study in Northeastern China, Applied Energy, 231, 194-206. (SCI) [link]

·     Liu, Q., Zhang, L.*, Liu, L., Du, J., Liang, X., Mao, H., Meng, Q. (2018). GC-COSMO based Reaction Solvent Design with New Kinetic Model using CAMD. In Computer Aided Chemical Engineering (Vol. 44, pp. 235-240). Elsevier. (CPCI) [link]

·     Kalakul, S., Zhang, L., Choudhury H., Elbashir, N. O., Eden M.*, Gani, R. (2018). ProCAPD – A Computer-Aided Model-Based Tool for Chemical Product Design and Analysis. In Computer Aided Chemical Engineering (Vol. 44, pp. 469-474). Elsevier. (CPCI) [link]

·     Zhuang, Y., Zhang, L., Liu, L., Meng, Q., Du, J.* (2018). Simultaneous Synthesis of WHEN Based on Superstructure Modelling Considering Thermodynamic and Economic Factors. In Computer Aided Chemical Engineering (Vol. 44, pp. 1033-1038). Elsevier. (CPCI) [link]

·     Liu, L., Sheng, Y., Zhang, L., Du, J.*, Meng, Q. (2018). Water networks synthesis for industrial parks respecting to unpredictable scenarios. In Computer Aided Chemical Engineering (Vol. 44, pp. 1021-1026). (CPCI) [link]

·     Gu, S., Liu, L., Zhang, L., Bai, Y., Wang, S., Du, J.* (2018). Heat exchanger networks synthesis integrated with flexibility and controllability, Chinese Journal of Chemical Engineering, doi: 10.1016/j.cjche.2018.07.017 (SCI) [link]

·     Zhang, X., Zhang, L., Fung, K. Y., Rangaiah, G. P., Ng, K. M.* (2018). Product Design: Impact of Government Policy and Consumer Preference on Company Profit and Corporate Social Responsibility, Computers & Chemical Engineering, 118, 118-131. (SCI) [link]

·     Zhang, L.*, Kalakul, S., Liu, L., Elbashir, N. O., Du, J., & Gani, R. (2018). A Computer-Aided Methodology for Mixture-Blend Design. Applications to Tailor-Made Design of Surrogate Fuels, Industrial & Engineering Chemistry Research, 57 (20), pp 7008–7020. (SCI) [link]

·    Zhang, L.*, Mao, H., Liu, L., Du, J., & Gani, R. (2018). A machine learning based computer-aided molecular design/screening methodology for fragrance molecules, Computers and Chemical Engineering, 115, 295-308. (SCI) [link]

·     Kalakul, S., Zhang, L., Fang, Z., Choudhury, H. A., Intikhab, S., Elbashir, N., Eden, M. R., & Gani, R.* (2018). Computer aided chemical product design - ProCAPD and tailor-made blended products, Computers and Chemical Engineering, 116, 37-55. (SCI) [link]

·     Zhang, L., Fung, K. Y., Wibowo, C., & Gani, R.* (2018). Advances in Chemical Product Design. Reviews in Chemical Engineering, 34(3), 319-340 (SCI) [link]

·     Liu, L., Song, H., Zhang, L., & Du, J.* (2018). Heat-integrated water allocation network synthesis for industrial parks with sequential and simultaneous design. Computers & Chemical Engineering, 108, 408-424. (SCI) [link]

·  李伟达,刘琳琳,张磊,王少靖,都健.* (2018). 基于灵敏度分析的页岩气净化流程的模拟与优化,化工学报,69(3),1008-1013. (EI, 第十六届中国化工学会信息技术应用专业委员会年会优秀论文[link]

·    张磊*,刘琳琳,都健.(2018).替代燃油的计算机辅助设计方法,化工进展,37(6),2437-2443. (EI) [link]

2017:

·     Zhang, L., Kalakul, S., Liu, L., Elbashir, N. O., Du, J., Gani, R. (2017). Computer-Aided Modeling for Tailor-Made Design of Surrogate Fuels, AIChE Annual Meeting, Mineapolis, MN. [link]

·     Zhuang, Y., Liu, L., Zhang, L., & Du, J.* (2017). Synthesis of indirect work exchange networks considering both isothermal and adiabatic process together with exergy analysis. Chinese Journal of Chemical Engineering, 26(8), 1644-1652. (SCI) [link]

·     Zhang, L.*, Fung, K. Y., Zhang, X., Fung, H. K., & Ng, K. M. (2017). An integrated framework for designing formulated products. Computers & Chemical Engineering, 107, 61-76. (SCI, 2017 Best Paper Award[link]

·     Zhuang, Y., Liu, L., Zhang, L., & Du, J.* (2017). Direct work exchanger network synthesis of isothermal process based on improved transshipment model. Journal of the Taiwan Institute of Chemical Engineers, 81, 295-304. (SCI) [link]

·     Zhuang, Y., Liu, L., Zhang, L., & Du, J.* (2017). Upgraded Graphical Method for the Synthesis of Direct Work Exchanger Networks. Industrial & Engineering Chemistry Research, 56(48), 14304-14315. (SCI) [link]

·     Bertran, M. O., Frauzem, R., Sanchez-Arcilla, A. S., Zhang, L., Woodley, J. M., & Gani, R.* (2017). A generic methodology for processing route synthesis and design based on superstructure optimization. Computers & Chemical Engineering, 106, 892-910. (SCI) [link]

2016:

·     Gani, R.*, Zhang, L., Kalakul, S., & Cignitti, S. (2016). Computer-Aided Molecular Design and Property Prediction. In Computer Aided Chemical Engineering (Vol. 39, pp. 153-196). Elsevier. (CPCI) [link]

·     Fung, K. Y., Ng, K. M.*, Zhang, L., & Gani, R. (2016). A grand model for chemical product design. Computers & Chemical Engineering, 91, 15-27. (SCI) [link]

·     Zhang, L., Babi, D. K., & Gani, R.* (2016). New vistas in chemical product and process design. Annual review of chemical and biomolecular engineering, 7, 557-582. (SCI) [link]

·     Garcia-Herreros, P., Zhang, L., Misra, P., Arslan, E., Mehta, S., & Grossmann, I. E.* (2016). Mixed-integer bilevel optimization for capacity planning with rational markets. Computers & Chemical Engineering, 86, 33-47. (SCI) [link]

·     Kalakul, S., Cignitti, S., Zhang, L., & Gani, R.* (2016). VPPD-Lab: the chemical product simulator. In Computer Aided Chemical Engineering (Vol. 39, pp. 61-94). Elsevier. (CPCI) [link]

·     Kalakul, S., Cignitti, S., Zhang, L., & Gani, R.* (2016). Integrated computer-aided framework for sustainable chemical product design and evaluation. In Computer Aided Chemical Engineering (Vol. 38, pp. 2343-2348). Elsevier. (CPCI) [link]

·     Bertran, M. O., Frauzem, R., Zhang, L., & Gani, R.* (2016). A generic methodology for superstructure optimization of different processing networks. In Computer Aided Chemical Engineering (Vol. 38, pp. 685-690). Elsevier. (CPCI) [link]

Before 2016:

·     Zhang, L., Cignitti, S., & Gani, R.* (2015). Generic mathematical programming formulation and solution for computer-aided molecular design. Computers & Chemical Engineering, 78, 79-84. (SCI) [link]

·     Cignitti, S., Zhang, L., & Gani, R.* (2015). Computer-aided framework for design of pure, mixed and blended products. In Computer Aided Chemical Engineering (Vol. 37, pp. 2093-2098). Elsevier. (CPCI) [link]

·     Zhang, L., Wang, H., Qiu, T., & Chen, B.* (2015). Simulation and Optimization of Multi-period Steam Cracking Process. In Advances in Petrochemicals. InTech. [link]

·     Zhang, L., Cignitti, S., & Gani, R. (2015). A New Optimization Model for Computer-Aided Molecular Design Problems. In 2015 AIChE Annual Meeting[link]

·     Cignitti, S., Zhang, L., Kalakul, S., & Gani, R. (2015). Systematic Computer-Aided Framework for Sustainable Chemical Product Design. In 2015 AIChE Annual Meeting[link]

·     Cignitti, S., Zhang, L., & Gani, R.* (2015). Computer-Aided Chemical Product Design Framework: Design of High Performance and Environmentally Friendly Refrigerants. In 10th European Congress of Chemical Engineering[link]

·     Peng, H., Zhang, L., Qiu, T.*, Chen, B. (2013). Modeling and Prediction of Product Yields for HCTO Pyrolysis in Tubular Cracking Reactor. In 6th International Conference on Process Systems Engineering (PSE ASIA), 25 - 27 June 2013, Kuala Lumpur. [link]

·     Zhang, L., & Chen, B.* (2012). Applications of Shannon's entropy theory to naphtha pyrolysis simulation. Chemical Engineering & Technology, 35(2), 281-286. (SCI) [link]

·     Zhang, L., Chen, B.*, & Qiu, T. (2012). A multi-scale model of naphtha pyrolysis process. In Computer Aided Chemical Engineering (Vol. 31, pp. 120-124). Elsevier. (CPCI) [link]

·     Peng, H., Zhang, L., Qiu, T.*, & Chen, B. (2011). Method of predicting equimolecular mixture of ethylene cracking feedstock. CIESC Journal, 12, 3447-3451. (EI) [link]

·     Zhang, L., Chen, B.*, & Qiu, T. (2011). Reaction network model reduction based on PCA. CIESC Journal, 1, 023. (EI) [link]


计算机辅助分子/混合物设计(Computer-Aided Molecular/Mixture Design, CAM2D)


结合化学、数学、物理、计算机等方法,对化工产品的机理进行研究,建立产品分子结构与宏观性质之间定量结构—性质关系(Quantitative Structure-Property Relationship, QSPR),对已知结构的分子进行性质预测;在此基础上,通过给出期望产品的目标性质,利用分子结构与宏观性质之间的定量关系建立数学模型,来设计符合目标性质要求的产品。

·   制药过程反应与结晶单元操作的有机小分子溶剂设计

研究溶剂对液液均相有机合成过程与溶液结晶过程的溶剂化效应,考察溶剂化自由能与晶面—溶剂吸附能分别对反应速率常数与晶体形貌的作用机制,进而耦合计算机辅助分子设计方法进行溶剂设计,实现反应溶剂催化剂与结晶溶剂的高通量与定向化的设计工作。

·   基于分子动力学的橡胶高分子设计方法研究

利用CAMD方法,逆向从高分子产品需求的性质出发,设计求得满足性质要求的分子结构。首先通过基团贡献法设计出满足性质要求的橡胶聚合物结构;并基于分子动力学模拟技术,探究橡胶高分子分子量、支链结构与特定性质之间的定量关系。

·   耦合机器学习的计算机辅助气味分子设计

解析气味产品特点,分别确定产品的物理化学性质与气味性质。建立机器学习模型来关联分子的描述符及其气味。再运用CAMD方法建立其它性质的模型并求解。得到满足条件的分子结构之后,计算其描述符并代入机器学习预测模型,通过预测是否满足条件来得到产品。

·   考虑过程设计的萃取剂分子设计

针对反应过程,设计一种萃取剂,使得加入的萃取剂可以把反应产物转移到萃取相,与原有的反应相分离,增加反应的最大转化率,提高产品收率。通过建立相平衡与反应平衡的数学模型,将产物在萃取相的浓度最大化作为约束条件来进行CAMD设计萃取剂。

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