台大化工系網站英文版-林祥泰教授 / Shiang-Tai Lin Professor

Introduction
Honor
Publications
Introduction
Education Background

National Taiwan University B.S. Ch.E., 1994

University of Delaware Ph. D. Ch.E., 2000

Research Topic

Molecular Simulations and Property Predictions
Our research focuses on the development of novel computational methods for the prediction of material properties and functions. Molecular design, i.e., the design of materials from the chemical structure of molecules, has become an important approach for the development of new materials. However, conventional approach of finding the link between property and molecular structure based on experimental trial and error is often costly and time-consuming. Recent advances in computational techniques provide a new alternative for material development. We have developed a reliable predictive method for the prediction of thermodynamic properties of phase behaviors of fluids. The statistical mechanical mode utilizes molecular interactions from modern computational chemistry and provides accurate predictions of properties within seconds. This method can provide thermodynamic information without input of any experimental data and can be useful for solvent screening and development of new chemical processes. In addition, we have developed a molecular simulation platform where one can create molecular models, conduct molecular dynamic simulations, and perform data analysis. This platform is useful for the understanding the microscopic properties and molecular structures of a material.

Recent Research Topic

Predictions of Liquid Phase Thermodynamic Properties from Exact Liquid Activity Coefficient Models, NSC 98-2221-E-002 -087 -MY3 08/01/2009 -07/31/2011
Honor
指導學生呂紹維獲台大第四屆「學士班學生論文獎」傅斯年獎(2020)

指導學生呂紹維獲台大化工108學年度學士專題海報競賽訊聯金獎(2020)

指導學生陳奕安獲台大化工108學年度學士專題海報競賽銀獎(2020)

指導學生古岱力，獲選參加2020灣化學工程學會67年年會英語口頭報告競賽論文競賽優等

指導學生蔡昌哲同學，獲得2019 年台灣化學工程學會66 週年年會壁報論文競賽-輸送組優勝

指導學生劉曉丰同學，獲得2019 年台灣化學工程學會66 週年年會壁報論文競賽-熱力及界面工程組優勝

指導學生梁興豪同學，獲得2019 年台灣化學工程學會66 週年年會壁報論文競賽-熱力及界面工程組優勝

指導學生林姿妤同學，獲科技部107 年度大專生研究計畫創作獎 (2019)

指導學生張峻愷同學，獲達興材料第八屆研究生獎學金 (2019)

指導學生林姿妤同學，獲2018 年台灣化學工程學會65 週年年會英語口頭報告競賽論文競賽佳作

指導學生林姿妤同學，獲得2018 年台灣化學工程學會65 週年年會壁報論文競賽-熱力及界面工程組佳作

指導學生許軒豪與黃晨軒獲台大化工系106 學年度學士專題競賽金牌 (2018)

指導學生黃晨軒獲台大106 學年度學士班學生論文院長獎 (2018)

台灣大學105學年度教學傑出教師 (2017)

指導學生張峻愷同學，獲科技部105 年度大專生研究計畫創作獎 (2017)

論文被Physical Chemistry Chemical Physics選為期刊封底(2017)

指導學生陳威霖，獲得2016 達興材料博士班獎學金

共同主持的氣體水合物研究團隊研究成果榮登 Physical Chemistry Chemical Physics 期刊封面，2016

Editorial Board of Journal of the Taiwan Institute of Chemical Engineers (2015-2022)

Deputy Editor of Journal of the Taiwan Institute of Chemical Engineers (2023-now)

Editorial Advisory Board of ACS Journal of Chemical and Engineering Data (2021-now)

論文被Journal of Computational Chemistry選為期刊封面(2015)

王立行同學/指導教授林祥泰教授台灣化學工程學會61週年年會英語口頭報告競賽論文競賽-輸送/熱力/綠色化工/環保C1組佳作 (2014)

趙紘毅指導教授林祥泰教授台灣化學工程學會61週年年會英語口頭報告競賽論文競賽-輸送/熱力/綠色化工/環保C2組佳作 (2014)

陳威霖指導教授林祥泰教授台灣化學工程學會61週年年會壁報論文競賽-熱力及界面工程組佳作 (2014)

趙紘毅、駱璇同學/指導教授林祥泰教授 2014GIMS12會議獲得學生海報第二名

American Chemical Society, associate member (2000至今)

American Institute of Chemical Engineers, life member

台灣化工學會終身會員

台灣化學工程學會理事 (2020-2022)
Publications
View detailed information on publications from the past five years, please click here!

B.-Y. Yu, P.-J. Wu, C.-C. Tsai, and S.-T. Lin, Production of diethyl carbonate from direct CO2 conversion. In Chemical Engineering Process Simulation, Foo, D. C. Y., Ed. Elsevier: 2023; pp 391-424.

N. Venkatareddy, S.-T. Lin, and P. K. Maiti, Phase behavior of active and passive dumbbells. PHYSICAL REVIEW E 107, 034607, 2023.

C. C. Tsai, A. McNeeley, S. T. Lin, and Y. A. Liu, Evaluation of thermophysical data, COSMO-SAC predictions, and feed simplifications for aromatic extraction process simulation using ionic liquid EMIM NTf2. AIChE J., 69 (2), e17916, 2023.

C. C. Tsai, and S. T. Lin, Improved vapor pressure prediction from PR plus COSMOSAC EOS using normal boiling temperature. AIChE J., 69 (3), e17997, 2023.

S. Naskar, D. Bhatia, S. T. Lin, and P. K. Maiti, Mechanistic insight into the structure, thermodynamics and dynamics of equilibrium gels of multi-armed DNA nanostars. Phys. Chem. Chem. Phys., 25 (11), 7847-7858, 2023.

A. McNeeley, C. C. Tsai, S. T. Lin, and Y. A. Liu, Science-guided data analytics for selecting ionic liquid solvents for aromatic extraction. AIChE J., e18081, 2023.

A. McNeeley, C. C. Tsai, S. T. Lin, and Y. A. Liu, Development of energy-optimum aromatic extraction processes using ionic liquid EMIM NTf2. AIChE J., 69 (2), e17888, 2023.

Y. C. Hung, C. M. Hsieh, H. Machida, S. T. Lin, and Y. Shimoyama, Modeling of phase separation solvent for CO2 capture using COSMO-SAC model. Journal of the Taiwan Institute of Chemical Engineers, 135, 104362, 2022.

Y. C. Hung, C. M. Hsieh, H. Machida, S. T. Lin, and Y. Shimoyama, Unveiling the mechanism of CO2-driven phase change in amine plus water plus glycol ether ternary mixture. Journal of the Taiwan Institute of Chemical Engineers, 131, 104143, 2022.

Y. Hung, C. Hsieh, H. Machida, S. Lin, and Y. Shimoyama, Phase Equilibrium Modeling of Mixtures Containing Conformationally Flexible Molecules with the COSMO-SAC Model. Journal of Molecular Liquids, 356, 118896, 2022.

P. W. Wang, D. T. Wu, and S. T. Lin, Promotion mechanism for the growth of CO2 hydrate with urea using molecular dynamics simulations. Chemical Communications, 57, 5330-5333, 2021.

T. Vikramaditya, and S. T. Lin, Novel Donor-Electret-Acceptor Framework for Higher Charge Transfer and Distance of Charge Transfer through Dipole Engineering. J. Phys. Chem. C, 125 (37), 20219-20229, 2021.

C. T. Lee, C. C. Tsai, P. J. Wu, B. Y. Yu, and S. T. Lin, Screening of CO2 utilization routes from process simulation: Design, optimization, environmental and techno-economic analysis. Journal of Co2 Utilization, 53, 101722, 2021.

Y.-C. Hung, C.-M. Hsieh, H. Machida, S.-T. Lin, and Y. Shimoyama, Towards Design of Phase Separation Solvent for CO2 Capture using COSMO-SAC Model. Journal of Molecular Liquids, 336, 116229, 2021.

J. J. Chang, D. S. H. Wong, C. H. Huang, J. L. Kang, H. H. Hsu, and S. T. Lin, Towards a universal digital chemical space for pure component properties prediction. Fluid Phase Equilib., 527, 112829, 2021.

B.-Y. Yu, P.-J. Wu, C.-C. Tsai, and S.-T. Lin, Evaluating the direct CO2 to diethyl carbonate (DEC) process: Rigorous simulation, techno-economical and environmental evaluation. Journal of CO2 Utilization, 41, 101254, 2020.

T. Vikramaditya, and S.-T. Lin, Accurate Prediction of Vertical Emission from Excited-State Tuning of Range-Separated Density Functional Theory. J. Phys. Chem. C, 2020.

C. C. Tsai, and S. T. Lin, Integration of Modern Computational Chemistry and ASPEN PLUS for Chemical Process Design. AIChE J., 66 (10), e16987, 2020.

K.-Y. Chang, C.-K. Chu, L.-S. Chu, Y.-A. Chen, S.-T. Lin, Y.-P. Chen, and L.-J. Chen, Effect of Small Cage Guests on Dissociation Properties of Tetrahydrofuran Hydrates. J. Phys. Chem. B, accepted, 2020.

C.-K. Chang, and S.-T. Lin, Improved Prediction of Phase Behaviors of Ionic Liquid Solutions with Consideration of Directional Hydrogen Bonding Interactions. Ind. Eng. Chem. Res., 59, 3550−3559, 2020.

台大化工系網站英文版

林祥泰 教授 / Shiang-Tai Lin Professor

林祥泰 教授 / Shiang-Tai Lin Professor

林祥泰教授 / Shiang-Tai Lin Professor

林祥泰教授 / Shiang-Tai Lin Professor