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个人简介

教育经历: 2002/3 - 2006/8,天津大学,化学工艺,博士,导师:马沛生 1997/9 - 2000/3,天津轻工业学院,制浆造纸,硕士,导师:胡开堂 1979/9 - 1983/7,成都科技大学,理论化学专门化,学士 工作经历: 1995/12 - 至今,天津科技大学,化学与材料学院,教授 1983/7 - 1995/12,天津职工化工学院,基础部

研究领域

从事化工热力学、化工分离过程、化工计算、化工数据和环境化学等方面研究工作。 1提出并建立了定位分布贡献理论。本理论完全、彻底的解决了50多年来物性计算领域有机物同分异构体无法分辨的世界性难题; 并且定位分布贡献理论成功的将有机物的临界温度、临界压力、临界体积、临界压缩因子、偏心因子、沸点、熔点、闪点、蒸发焓和熔化焓等性质,用一个完全相同的广义定位分布贡献函数表示,具有完全的广义性、稳定性和准确性。统一了基于基团贡献思想所建立、衍化出来的对于有机物热力学性质估算的所有计算方法及理论。 2提出范数描述符并成功用于定量构效关系模型。范数描述符由分子特征矩阵计算得到。分子特征矩阵由两部分构成:欧氏空间距离矩阵和增广矩阵。欧氏空间距离矩阵用来描述各个原子在分子中的空间位置。增广矩阵是对应距离矩阵建立起来的针对各个原子的特征识别矩阵。范数描述符具有广义性,已成功应用于药物活性、毒性数据预测,离子液体物性、毒性预测,有机物基本性质估算。

近期论文

查看导师新发文章 (温馨提示:请注意重名现象,建议点开原文通过作者单位确认)

1. Wensi He, Fangyou Yan*, Qingzhu Jia, Shuqian Xia, and Qiang Wang. Prediction of ionic liquids viscosity at variable temperatures and pressures. Chemical Engineering Science, 2018, 184: 134-140 2. Wensi He, Fangyou Yan*, Qingzhu Jia, Shuqian Xia, and Qiang Wang. QSAR models for describing the toxicological e?ects of ILs against Staphylococcus aureus based on norm indexes. Chemosphere 2018, 195: 831-838 3. Fangyou Yan, Wensi He, Qingzhu Jia, Shuqian Xia, and Qiang Wang*. QSAR models for describing the toxicological e?ects of ILs against Candida albicans based on norm indexes. Chemosphere 2018, 195:831-838 4. Yali Wang, Fangyou Yan, Qingzhu Jia, and Qiang Wang*. Quantitative structure-property relationship for critical micelles concentration of sugar-based surfactants using norm indexes. Journal of Molecular Liquids 2018,253, 205-210 5. Wensi He, Fangyou Yan*, Qingzhu Jia, Shuqian Xia, and Qiang Wang. Description of the thermal conductivity λ(T, P) of ionic liquids using structure property relationship method. Journal of Chemical & Engineering Data 2017, 62 (8): 2466-2472 6. Yali Wang, Fangyou Yan, Qingzhu Jia, Qiang Wang*, Assessment for multi-endpoint values of carbon nanotubes: Quantitative nanostructure-property relationship modeling with norm indexes. Journal of Molecular Liquids, 2017, 248: 399-405 7. Yali Wang, Fangyou Yan, Qingzhu Jia, Qiang Wang*, Quantitative structure-activity relationship of anti-HIV Integrase and Reverse Transcriptase Inhibitors using norm index. SAR and QSAR in Environmental Research (GSAR), 2017, 28(12): 1025-1044 8. Qingzhu Jia, Ying Liu, Fangyou Yan, Qiang Wang*, Predicting the activity of hydroxamic acid analogues. Molecular Simulation, 2017, 43: 1026-1033 9. Jingchen Yin, Qingzhu Jia*, Fangyou Yan, Qiang Wang, Predicting heat capacity of gas for diverse organic compounds at different temperatures. Fluid Phase Equilibria, 2017, 446: 1-8 10. Fangyou Yan, Hao Wu, Wei Li, Jinli Zhang*. Simultaneous optimization of heat-integrated water networks by a nonlinear program. Chemical Engineering Science, 2016, 140 : 76–89

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