Comprehensive assessment of COSMO-SAC models for predictions of fluid-phase equilibria R Fingerhut, WL Chen, A Schedemann, W Cordes, J Rarey, CM Hsieh, ... Industrial & Engineering Chemistry Research 56 (35), 9868-9884, 2017 | 84 | 2017 |
A critical evaluation on the performance of COSMO-SAC models for vapor–liquid and liquid–liquid equilibrium predictions based on different quantum chemical calculations WL Chen, CM Hsieh, L Yang, CC Hsu, ST Lin Industrial & Engineering Chemistry Research 55 (34), 9312-9322, 2016 | 65 | 2016 |
Prediction of miscibility gaps in water/ether mixtures using COSMO-SAC model ST Lin, LH Wang, WL Chen, PK Lai, CM Hsieh Fluid phase equilibria 310 (1-2), 19-24, 2011 | 31 | 2011 |
First-principles prediction of solid solute solubility in supercritical carbon dioxide using PR+ COSMOSAC EOS ZZ Cai, HH Liang, WL Chen, ST Lin, CM Hsieh Fluid Phase Equilibria 522, 112755, 2020 | 22 | 2020 |
Explicit consideration of spatial hydrogen bonding direction for activity coefficient prediction based on implicit solvation calculations WL Chen, ST Lin Physical Chemistry Chemical Physics 19 (31), 20367-20376, 2017 | 18 | 2017 |
Improved directional hydrogen bonding interactions for the prediction of activity coefficients with COSMO-SAC CK Chang, WL Chen, DT Wu, ST Lin Industrial & Engineering Chemistry Research 57 (32), 11229-11238, 2018 | 17 | 2018 |
Prediction of phase behaviors of acetic acid containing fluids WL Chen, CC Hsu, ST Lin Fluid Phase Equilibria 353, 61-68, 2013 | 11 | 2013 |
Skasim–scalable HPC software for molecular simulation in the chemical industry J Vrabec, M Bernreuther, HJ Bungartz, WL Chen, W Cordes, R Fingerhut, ... Chemie Ingenieur Technik 90 (3), 295-306, 2018 | 6 | 2018 |
SkaSim-Skalierbare HPC-Software für molekulare Simulationen in der chemischen Industrie J Vrabec, M Bernreuther, HJ Bungartz, WL Chen, W Cordes, R Fingerhut, ... CIT (Chemie Ingenieur Technik) 90 (3), 295-306, 2018 | 5 | 2018 |
A Priori Prediction of the Vapor–Liquid Equilibria of Mixtures of Acetic Acid and Water or Alcohols by Explicit Consideration of Hydrogen-Bonded Dimers WL Chen, ST Lin Industrial & Engineering Chemistry Research 53 (39), 15261-15269, 2014 | 5 | 2014 |
SkaSim–Skalierbare HPC‐Software für molekulare Simulationen in der chemischen IndustrieSkaSim–Scalable HPC Software for Molecular Simulation in the Chemical Industry. J Vrabec, M Bernreuther, HJ Bungartz, WL Chen, W Cordes, R Fingerhut, ... Chemie Ingenieur Technik (CIT) 90 (3), 2018 | | 2018 |