First-principles prediction of phase equilibria using the PR + COSMOSAC equation of state.
- Published in:
- Asia-Pacific Journal of Chemical Engineering, 2012, v. 7, n. Supp 1, p. S1, doi. 10.1002/apj.608
- By:
- Publication type:
- Article
Works by Lin, Shiang‐Tai
Results: 15
1
2
Marching into molecular design.
- Published in:
- Asia-Pacific Journal of Chemical Engineering, 2011, v. 6, n. 2, p. 195, doi. 10.1002/apj.540
- By:
- Publication type:
- Article
3
Infinite dilution activity coefficients from ab initio solvation calculations.
- Published in:
- AIChE Journal, 1999, v. 45, n. 12, p. 2606, doi. 10.1002/aic.690451217
- By:
- Publication type:
- Article
4
New strategy for predicting liquid–liquid equilibrium near critical point using global renormalization group theory.
- Published in:
- AIChE Journal, 2025, v. 71, n. 5, p. 1, doi. 10.1002/aic.18738
- By:
- Publication type:
- Article
5
Science‐guided data analytics for selecting ionic liquid solvents for aromatic extraction.
- Published in:
- AIChE Journal, 2023, v. 69, n. 6, p. 1, doi. 10.1002/aic.18081
- By:
- Publication type:
- Article
6
Improved vapor pressure prediction from PR + COSMOSAC EOS using normal boiling temperature.
- Published in:
- AIChE Journal, 2023, v. 69, n. 3, p. 1, doi. 10.1002/aic.17997
- By:
- Publication type:
- Article
7
Evaluation of thermophysical data, COSMO‐SAC predictions, and feed simplifications for aromatic extraction process simulation using ionic liquid [EMIM][NTf2].
- Published in:
- AIChE Journal, 2023, v. 69, n. 2, p. 1, doi. 10.1002/aic.17916
- By:
- Publication type:
- Article
8
Development of energy‐optimum aromatic extraction processes using ionic liquid [EMIM][NTf2].
- Published in:
- AIChE Journal, 2023, v. 69, n. 2, p. 1, doi. 10.1002/aic.17888
- By:
- Publication type:
- Article
9
Integration of modern computational chemistry and ASPEN PLUS for chemical process design.
- Published in:
- AIChE Journal, 2020, v. 66, n. 10, p. 1, doi. 10.1002/aic.16987
- By:
- Publication type:
- Article
10
Prediction and screening of solubility of pharmaceuticals in single- and mixed-ionic liquids using COSMO-SAC model.
- Published in:
- AIChE Journal, 2017, v. 63, n. 7, p. 3096, doi. 10.1002/aic.15595
- By:
- Publication type:
- Article
11
A novel multiscale approach for rapid prediction of phase behaviors with consideration of molecular conformations.
- Published in:
- AIChE Journal, 2016, v. 62, n. 11, p. 4047, doi. 10.1002/aic.15290
- By:
- Publication type:
- Article
12
Rapid prediction of solvation free energy and vapor pressure of liquid and solid from molecular dynamics simulation.
- Published in:
- AIChE Journal, 2015, v. 61, n. 7, p. 2298, doi. 10.1002/aic.14859
- By:
- Publication type:
- Article
13
Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT Exchange.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 32, p. 2810, doi. 10.1002/jcc.26056
- By:
- Publication type:
- Article
14
Impact of non‐empirically tuning the range‐separation parameter of long‐range corrected hybrid functionals on ionization potentials, electron affinities, and fundamental gaps.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 28, p. 2378, doi. 10.1002/jcc.25575
- By:
- Publication type:
- Article
15
Assessing the role of Hartree- Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 21, p. 1844, doi. 10.1002/jcc.24828
- By:
- Publication type:
- Article