World's Best Scientists 2026 revealed!

D-Index & Metrics

Engineering and Technology

D-Index
42
Citations
7749
World Ranking
6501
National Ranking
63

Overview

Shiang-Tai Lin is affiliated with National Taiwan University in Taiwan and has contributed extensively to the field of engineering, with a focus on several subfields including biomedical engineering, mechanical engineering, control and systems engineering, materials chemistry, and environmental chemistry.

Their research spans multiple topics related to chemical and process engineering, with a notable emphasis on phase equilibria and thermodynamics, process optimization and integration, as well as carbon dioxide utilization and capture technologies. Other areas of interest include ionic liquids properties and applications, methane hydrates, and chemical thermodynamics and molecular structure.

The scientist's recent publications illustrate a focus on CO2-related processes and thermodynamic modeling. Some notable papers include:

  • A Benchmark Open-Source Implementation of COSMO-SAC, 2020, Journal of Chemical Theory and Computation
  • Evaluating the direct CO2 to diethyl carbonate (DEC) process: Rigorous simulation, techno-economical and environmental evaluation, 2020, Journal of CO2 Utilization
  • Screening of CO2 utilization routes from process simulation: Design, optimization, environmental and techno-economic analysis, 2021, Journal of CO2 Utilization
  • First-principles prediction of solid solute solubility in supercritical carbon dioxide using PR+COSMOSAC EOS, 2020, Fluid Phase Equilibria
  • Promotion mechanism for the growth of CO2 hydrate with urea using molecular dynamics simulations, 2021, Chemical Communications

Lin has frequently published in multiple scientific venues, including:

  • AIChE Journal
  • Journal of the Taiwan Institute of Chemical Engineers
  • Journal of Molecular Liquids
  • The Journal of Physical Chemistry C
  • arXiv (Cornell University)

Collaborations are a significant aspect of Lin's research activities, with frequent coauthors including Chang-Che Tsai, Chieh-Ming Hsieh, Prabal K. Maiti, Bor-Yih Yu, and Pei-Jhen Wu.

Best Publications

  • A Priori Phase Equilibrium Prediction from a Segment Contribution Solvation Model

    Shiang-Tai Lin;Stanley I. Sandler

  • The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of Lennard-Jones fluids

    Shiang-Tai Lin;Mario Blanco;William A. Goddard

  • Two-Phase Thermodynamic Model for Efficient and Accurate Absolute Entropy of Water from Molecular Dynamics Simulations

    Shiang-Tai Lin;Prabal K. Maiti;William A. Goddard

  • Improvements of COSMO-SAC for vapor-liquid and liquid-liquid equilibrium predictions

    Chieh Ming Hsieh;Chieh Ming Hsieh;Stanley I. Sandler;Shiang Tai Lin

  • Molecular Dynamics Study of a Surfactant-Mediated Decane-Water Interface: Effect of Molecular Architecture of Alkyl Benzene Sulfonate

    Seung Soon Jang;Shiang-Tai Lin;Prabal K. Maiti;Mario Blanco

  • Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics

    Tod A. Pascal;Tod A. Pascal;Shiang-Tai Lin;William A. Goddard;William A. Goddard

  • Theoretical Investigation of the Metal-Doped SrTiO3 Photocatalysts for Water Splitting

    Hsin-Chieh Chen;Chao-Wei Huang;Jeffrey C. S. Wu;Shiang-Tai Lin

  • Prediction of Vapor Pressures and Enthalpies of Vaporization Using a COSMO Solvation Model

    Shiang-Tai Lin;Jaeeon Chang;Shu Wang;William A. Goddard

  • The growth of structure I methane hydrate from molecular dynamics simulations.

    Yen-Tien Tung;Li-Jen Chen;Yan-Ping Chen;Shiang-Tai Lin

  • Dynamics and thermodynamics of water in PAMAM dendrimers at subnanosecond time scales.

    Shiang-Tai Lin;Prabal K. Maiti;William A. Goddard

  • A Benchmark Open-Source Implementation of COSMO-SAC

    Ian H. Bell;Erik Mickoleit;Chieh Ming Hsieh;Shiang Tai Lin

  • Growth of Structure I Carbon Dioxide Hydrate from Molecular Dynamics Simulations

    Yen-Tien Tung;Li-Jen Chen;Yan-Ping Chen;Shiang-Tai Lin

  • In situ methane recovery and carbon dioxide sequestration in methane hydrates: a molecular dynamics simulation study.

    Yen-Tien Tung;Li-Jen Chen;Yan-Ping Chen;Shiang-Tai Lin

  • Efficiency of various lattices from hard ball to soft ball: theoretical study of thermodynamic properties of dendrimer liquid crystal from atomistic simulation.

    Youyong Li;Shiang-Tai Lin;William A. Goddard

  • New Donor–Acceptor Oligoimides for High-Performance Nonvolatile Memory Devices

    Wen-Ya Lee;Tadanori Kurosawa;Shiang-Tai Lin;Tomoya Higashihara

  • Molecular dynamics study on the growth of structure I methane hydrate in aqueous solution of sodium chloride.

    Yen-Tien Tung;Li-Jen Chen;Yan-Ping Chen;Shiang-Tai Lin

  • Infinite dilution activity coefficients from ab initio solvation calculations

    Shiang-Tai Lin;Stanley I. Sandler

  • Entropy and dynamics of water in hydration layers of a bilayer.

    Ananya Debnath;Biswaroop Mukherjee;K. G. Ayappa;Prabal K. Maiti

  • Entropy of water in the hydration layer of major and minor grooves of DNA.

    Biman Jana;Subrata Pal;Prabal K Maiti;Shiang Tai Lin

  • Screening of ionic liquids for CO2 capture using the COSMO-SAC model

    Bong-Seop Lee;Shiang-Tai Lin

  • Thermodynamics of water entry in hydrophobic channels of carbon nanotubes.

    Hemant Kumar;Biswaroop Mukherjee;Shiang-Tai Lin;Chandan Dasgupta

  • Employing an amphiphilic interfacial modifier to enhance the performance of a poly(3-hexyl thiophene)/TiO2 hybrid solar cell

    Yu Ching Huang;Jui Hung Hsu;Yu Chia Liao;Wei Che Yen

  • Prediction of Octanol−Water Partition Coefficients Using a Group Contribution Solvation Model

    Shiang-Tai Lin and;Stanley I. Sandler

Frequent Co-Authors

William A. Goddard
William A. Goddard California Institute of Technology
Prabal K. Maiti
Prabal K. Maiti Indian Institute of Science
Stanley I. Sandler
Stanley I. Sandler University of Delaware
Wei-Fang Su
Wei-Fang Su National Taiwan University
Jadran Vrabec
Jadran Vrabec Technical University of Berlin
Seung Soon Jang
Seung Soon Jang Georgia Institute of Technology
Amadeu K. Sum
Amadeu K. Sum Colorado School of Mines
Tahir Cagin
Tahir Cagin Texas A&M University
Hans Hasse
Hans Hasse Technical University of Kaiserslautern
Chun-Wei Chen
Chun-Wei Chen National Taiwan University

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