publication

2019

• 1. Prediction and Reasoning for the Occurrence of Lower Critical Solution Temperature in Aqueous Solutions Ionic Liquids YR Tsai, ST Lin Industrial & Engineering Chemistry Research

  2. Theory and Kinetic Monte Carlo Simulation of Guest Molecule Transport in sI Clathrate Hydrates Based on Cage Hopping LS Chu, DT Wu, ST Lin The Journal of Physical Chemistry C 123 (17), 11233-11243

1. Improvement to PR+ COSMOSAC EOS for Predicting the Vapor Pressure of Nonelectrolyte Organic Solids and Liquids HH Liang, JY Li, LH Wang, ST Lin, CM Hsieh Industrial & Engineering Chemistry Research 58 (12), 5030-5040

   1. A new approach for developing exact local composition models for lattice fluids TC Liu, ST Lin Journal of the Taiwan Institute of Chemical Engineers 96, 63-73

2018

• 1. Efficient Computation of Entropy and Other Thermodynamic Properties for Two-Dimensional Systems Using Two-Phase Thermodynamic Model SS Pannir Sivajothi, ST Lin, PK Maiti The Journal of Physical Chemistry B 123 (1), 180-193

  2. Equilibrium and Transport Properties of Methane at the Methane/Water Interface with the Presence of SDS ZY Lin, DT Wu, ST Lin The Journal of Physical Chemistry C 122 (51), 29259-29267

  3. Impact of non‐empirically tuning the range‐separation parameter of long‐range corrected hybrid functionals on ionization potentials, electron affinities, and fundamental gaps T Vikramaditya, JD Chai, ST Lin Journal of computational chemistry 39 (28), 2378-2384

  4. Measurements of diffusion coefficient of methane in water/brine under high pressure C Yen-An, C Che-Kang, C Yan-Ping, C Lee-Shin, ST Lin, C Li-Jen TAO: Terrestrial, Atmospheric and Oceanic Sciences 29 (5), 5

  5. 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

  6. Prediction of gas and liquid solubility in organic polymers based on the PR+ COSMOSAC equation of state LH Wang, CM Hsieh, ST Lin Industrial & Engineering Chemistry Research 57 (31), 10628-10639

  7. Fully Automated Molecular Design with Atomic Resolution for Desired Thermophysical Properties HH Hsu, CH Huang, ST Lin Industrial & Engineering Chemistry Research 57 (29), 9683-9692

  8. 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

  9. Prediction of solid-liquid-gas equilibrium for binary mixtures of carbon dioxide+ organic compounds from approaches based on the COSMO-SAC model CY Chen, LH Wang, CM Hsieh, ST Lin The Journal of Supercritical Fluids 133, 318-329

  10. SkaSim-Skalierbare HPC-Software für molekulare Simulationen in der chemischen Industrie J Vrabec, M Bernreuther, HJ Bungartz, WL Chen, W Cordes, R Fingerhut, ...

2017

1. 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

2. Prediction and screening of solubility of pharmaceuticals in single‐and mixed‐ionic liquids using COSMO‐SAC model BS Lee, ST Lin AIChE Journal 63 (7), 3096-3104

3. Assessing the role of H artree‐F ock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory T Vikramaditya, ST Lin Journal of computational chemistry 38 (21), 1844-1852 

4. The Origin of Ion-Pairing and Redissociation of Ionic Liquid BS Lee, ST Lin The Journal of Physical Chemistry B 121 (23), 5818-5823

5. Water vacancy driven diffusion in clathrate hydrates: Molecular dynamics simulation study H Lo, MT Lee, ST Lin The Journal of Physical Chemistry C 121 (15), 8280-8289

6. 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

2016

• 1. A novel multiscale approach for rapid prediction of phase behaviors with consideration of molecular conformations L Yang, CW Chang, ST Lin AIChE Journal 62 (11), 4047-4054

  2. 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

  3. Prediction of pH effect on the octanol–water partition coefficient of ionizable pharmaceuticals CS Chen, ST Lin Industrial & Engineering Chemistry Research 55 (34), 9284-9294

  4. Chain length effect of ionic liquid 1-alkyl-3-methylimidazolium chloride on the phase equilibrium of methane hydrate CK Chu, ST Lin, YP Chen, PC Chen, LJ Chen Fluid Phase Equilibria 413, 57-64

  5. Measurement for the Dissociation Conditions of Methane and Carbon Dioxide Hydrate in the Presence of Additive Materials YP Chen, LJ Chen, ST Lin, M Tang MRS Advances 1 (15), 1013-1019

  6. Molecular dynamics study on the nucleation of methane+ tetrahydrofuran mixed guest hydrate JY Wu, LJ Chen, YP Chen, ST Lin Physical Chemistry Chemical Physics 18 (15), 9935-9947

2015

• 1. Inhibition effect of 1-ethyl-3-methylimidazolium chloride on methane hydrate equilibrium CK Chu, PC Chen, YP Chen, ST Lin, LJ Chen The Journal of Chemical Thermodynamics 91, 141-145

  2. Improved prediction of vapor pressure for pure liquids and solids from the PR+ COSMOSAC equation of state LH Wang, CM Hsieh, ST Lin Industrial & Engineering Chemistry Research 54 (41), 10115-10125

  3. A priori prediction of dissociation phenomena and phase behaviors of ionic liquids BS Lee, ST Lin Industrial & Engineering Chemistry Research 54 (36), 9005-9012

  4. Molecular dynamics study on the growth mechanism of methane plus tetrahydrofuran mixed hydrates JY Wu, LJ Chen, YP Chen, ST Lin The Journal of Physical Chemistry C 119 (34), 19883-19890

  5. Rapid prediction of solvation free energy and vapor pressure of liquid and solid from molecular dynamics simulation L Yang, ST Lin AIChE Journal 61 (7), 2298-2306

  6. Internal coordinate density of state from molecular dynamics simulation PK Lai, ST Lin Journal of computational chemistry 36 (8), 507-517

  7. Measurements for the equilibrium conditions of methane hydrate in the presence of cyclopentanone or 4-hydroxy-4-methyl-2-pentanone additives YW Juan, M Tang, LJ Chen, ST Lin, PC Chen, YP Chen Fluid Phase Equilibria 386, 162-167

  8. Molecular dynamics study on the equilibrium and kinetic properties of tetrahydrofuran clathrate hydrates JY Wu, LJ Chen, YP Chen, ST Lin The Journal of Physical Chemistry C 119 (3), 1400-1409

  9. Screening of ionic liquids for CO2 capture using the COSMO-SAC model BS Lee, ST Lin Chemical Engineering Science 121, 157-168

  10. Assessment of density functional methods for exciton binding energies and related optoelectronic properties JC Lee, JD Chai, ST Lin RSC Advances 5 (123), 101370-101376

  11. Theoretical study on the torsional potential of alkyl, donor, and acceptor substituted bithiophene: the hidden role of noncovalent interaction and backbone conjugation TJ Lin, ST Lin Physical Chemistry Chemical Physics 17 (6), 4127-4136

2014

• 1. A Priori Prediction of the Vapor–Liquid Equilibria of Mixtures of Acetic Acid and Water or Alcohols by Explicit Consideration of Hydrogen-Bonded Dimers

  2. WL Chen, ST Lin Industrial & Engineering Chemistry Research 53 (39), 15261-15269 

1. Diffusive and quantum effects of water properties in different states of matter KY Yeh, SN Huang, LJ Chen, ST Lin The Journal of chemical physics 141 (4), 044502

   1. Considering the dispersive interactions in the COSMO-SAC model for more accurate predictions of fluid phase behavior CM Hsieh, ST Lin, J Vrabec Fluid Phase Equilibria 367, 109-116

   2. A priori prediction of the octanol–water partition coefficient (Kow) of ionic liquids BS Lee, ST Lin Fluid Phase Equilibria 363, 233-238

   3. Considering the dispersive interactions in the COSMO-SAC model for more accurate predictions of fluid phase behavior (vol 367, pg 109, 2014) CM Hsieh, ST Lin, J Vrabec Fluid Phase Equilibria 384, 14-15

   4. A predictive method for the solubility of drug in supercritical carbon dioxide LH Wang, ST Lin The Journal of Supercritical Fluids 85, 81-88

   5. Rapid determination of entropy for flexible molecules in condensed phase from the two-phase thermodynamic model PK Lai, ST Lin Rsc Advances 4 (19), 9522-9533

2013

• 1. Prediction of phase equilibrium of methane hydrates in the presence of ionic liquids HY Chin, BS Lee, YP Chen, PC Chen, ST Lin, LJ Chen Industrial & Engineering Chemistry Research 52 (47), 16985-16992

  2. Prediction of phase equilibrium for gas hydrate in the presence of organic inhibitors and electrolytes by using an explicit pressure-dependent Langmuir adsorption constant in … HY Chin, MK Hsieh, YP Chen, PC Chen, ST Lin, LJ Chen The Journal of Chemical Thermodynamics 66, 34-43

  3. Prediction of phase behaviors of ionic liquids over a wide range of conditions BS Lee, ST Lin Fluid Phase Equilibria 356, 309-320

  4. Prediction of phase behaviors of acetic acid containing fluids WL Chen, CC Hsu, ST Lin Fluid Phase Equilibria 353, 61-68

  5. Prediction of phase behaviors of polymer–solvent mixtures from the COSMO-SAC activity coefficient model YC Kuo, CC Hsu, ST Lin Industrial & Engineering Chemistry Research 52 (37), 13505-13515

  6. Fluid‐phase coexistence for the oxidation of CO2 expanded cyclohexane: Experiment, molecular simulation, and COSMO‐SAC T Merker, CM Hsieh, ST Lin, H Hasse, J Vrabec AIChE Journal 59 (6), 2236-2250

  7. Measurements for the dissociation conditions of methane hydrate in the presence of 2, 5-dihydrofuran and 3, 4-dihydro-2H-pyran CT Cheng, LJ Chen, ST Lin, M Tang, PC Chen, YP Chen Fluid Phase Equilibria 338, 114-118

  8. Band gap engineering via controlling donor–acceptor compositions in conjugated copolymers YC Hung, CY Chao, CA Dai, WF Su, ST Lin The Journal of Physical Chemistry B 117 (2), 690-696

2012

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

  2. YT Tung, LJ Chen, YP Chen, ST Lin The Journal of Physical Chemistry B 116 (48), 14115-14125 

1. Explicit pressure dependence of the Langmuir adsorption constant in the van der Waals–Platteeuw model for the equilibrium conditions of clathrate hydrates

   1. MK Hsieh, WY Ting, YP Chen, PC Chen, ST Lin, LJ Chen Fluid Phase Equilibria 325, 80-89

   2. First‐principles prediction of phase equilibria using the PR+ COSMOSAC equation of state CM Hsieh, ST Lin Asia‐Pacific Journal of Chemical Engineering 7, S1-S10

   3. Theoretical investigation of the metal-doped SrTiO3 photocatalysts for water splitting HC Chen, CW Huang, JCS Wu, ST Lin The Journal of Physical Chemistry C 116 (14), 7897-7903

   4. Effect of mixing rule boundary conditions on high pressure (liquid+ liquid) equilibrium prediction MK Hsieh, ST Lin The Journal of Chemical Thermodynamics 47, 33-41

   5. Predictive method for the change in equilibrium conditions of gas hydrates with addition of inhibitors and electrolytes MK Hsieh, YT Yeh, YP Chen, PC Chen, ST Lin, LJ Chen Industrial & Engineering Chemistry Research 51 (5), 2456-2469

   6. Stability of positively charged solutes in water: a transition from hydrophobic to hydrophilic TA Pascal, ST Lin, W Goddard III, Y Jung The journal of physical chemistry letters 3 (3), 294-298

   7. Investigation of Fluid Phase Equilibria for the Oxidation of Cyclohexane in CO 2 Expanded Liquids from Experiments, Molecular Simulation, PR EOS and COSMO-SAC T Merker, CM Hsieh, ST Lin, H Hasse, J Vrabec Thermodynamik-Kolloquium

   8. The role of long-range interactions in the phase behavior of ionic liquids BS Lee, ST Lin Physical Chemistry Chemical Physics 14 (18), 6520-6525

   9. Rapid determination of entropy and free energy of mixtures from molecular dynamics simulations with the two-phase thermodynamic model PK Lai, CM Hsieh, ST Lin Physical Chemistry Chemical Physics 14 (43), 15206-15213

   10. Band structure engineering for low band gap polymers containing thienopyrazine CY Chao, CH Chao, LP Chen, YC Hung, ST Lin, WF Su, CF Lin Journal of Materials Chemistry 22 (15), 7331-7341

2011

• 1. In situ methane recovery and carbon dioxide sequestration in methane hydrates: A molecular dynamics simulation study YT Tung, LJ Chen, YP Chen, ST Lin The Journal of Physical Chemistry B 115 (51), 15295-15302 

1. 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

   1. A priori predictions of critical loci from the combined use of PRSV equation of state and the COSMO-SAC model through the MHV1 mixing rule YS Tai, MT Hsieh, MT Lee, DSH Wong, ST Lin Fluid Phase Equilibria 308 (1-2), 25-34

   2. New donor–acceptor oligoimides for high-performance nonvolatile memory devices WY Lee, T Kurosawa, ST Lin, T Higashihara, M Ueda, WC Chen Chemistry of Materials 23 (20), 4487-4497

   3. Measurements for the Dissociation Conditions of Methane Hydrate in the Presence of 1, 3, 5-Trioxane and Oxolan-2-ylmethanol WY Ko, LJ Chen, ST Lin, YP Chen Journal of Chemical & Engineering Data 56 (8), 3406-3410

   4. Absolute entropy and energy of carbon dioxide using the two-phase thermodynamic model SN Huang, TA Pascal, WA Goddard III, PK Maiti, ST Lin Journal of chemical theory and computation 7 (6), 1893-1901

   5. A predictive model for the excess gibbs free energy of fully dissociated electrolyte solutions MT Hsieh, ST Lin AIChE journal 57 (4), 1061-1074

   6. Thermodynamics of water entry in hydrophobic channels of carbon nanotubes H Kumar, B Mukherjee, ST Lin, C Dasgupta, AK Sood, PK Maiti The Journal of chemical physics 134 (12), 124105

   7. Growth of structure I carbon dioxide hydrate from molecular dynamics simulations YT Tung, LJ Chen, YP Chen, ST Lin The Journal of Physical Chemistry C 115 (15), 7504-7515

   8. Marching into molecular design ST Lin Asia‐Pacific Journal of Chemical Engineering 6 (2), 195-198

   9. Obtaining Thermodynamic Properties and Fluid Phase Equilibria without Experimental Measurements ST Lin, CM Hsieh Application of Thermodynamics to Biological and Materials Science, 459

   10. Prediction of gas hydrate phase behavior in the presence of alcolhols and glycols with PRSV equation of state and the vdW-P model LJ Chen, CH Lin, YT Yeh, MK Hsieh, ST Lin, YP Chen Proceedings of the 7th International Conference on Gas Hydrates (ICGH)

   11. Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics TA Pascal, ST Lin, WA Goddard III Physical chemistry chemical physics 13 (1), 169-181

   12. Employing an amphiphilic interfacial modifier to enhance the performance of a poly (3-hexyl thiophene)/TiO 2 hybrid solar cell YC Huang, JH Hsu, YC Liao, WC Yen, SS Li, ST Lin, CW Chen, WF Su Journal of Materials Chemistry 21 (12), 4450-4456

2010

• 1. A Special Tribute to Stan Sandler: The Reach and Impact of a Life-Long Dedication to the Chemical Engineering Profession AK Sum, ST Lin, JM Prausnitz

  2. Industrial & Engineering Chemistry Research 50 (1), 1-2 

1. A predictive model for the solubility and octanol− water partition coefficient of pharmaceuticals CM Hsieh, S Wang, ST Lin, SI Sandler Journal of Chemical & Engineering Data 56 (4), 936-945 

2. Entropy and dynamics of water in hydration layers of a bilayer A Debnath, B Mukherjee, KG Ayappa, PK Maiti, ST Lin The Journal of chemical physics 133 (17), 174704

   1. Improvements of COSMO-SAC for vapor–liquid and liquid–liquid equilibrium predictions CM Hsieh, SI Sandler, ST Lin Fluid Phase Equilibria 297 (1), 90-97

   2. Measurements for the Dissociation Conditions of Methane Hydrate in the Presence of 2-Methyl-2-propanol PC Kuo, LJ Chen, ST Lin, YP Chen Journal of Chemical & Engineering Data 55 (11), 5036-5039

   3. The growth of structure I methane hydrate from molecular dynamics simulations YT Tung, LJ Chen, YP Chen, ST Lin The Journal of Physical Chemistry B 114 (33), 10804-10813

   4. First-principles prediction of vapor− liquid− liquid equilibrium from the PR+ COSMOSAC equation of state CM Hsieh, ST Lin Industrial & Engineering Chemistry Research 50 (3), 1496-1503

   5. Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations ST Lin, PK Maiti, WA Goddard III The Journal of Physical Chemistry B 114 (24), 8191-8198

   6. Prediction of drug solubility in mixed solvent systems using the COSMO-SAC activity coefficient model CC Shu, ST Lin Industrial & Engineering Chemistry Research 50 (1), 142-147

   7. Prediction of liquid–liquid equilibrium from the Peng–Robinson+ COSMOSAC equation of state CM Hsieh, ST Lin Chemical Engineering Science 65 (6), 1955-1963

   8. Absolute Entropy and Free Energy of Pure Fluids from Molecular Dynamic Simulations SN Huang, ST Lin APCChE

Before 2010

• 1. Prediction of 1-octanol–water partition coefficient and infinite dilution activity coefficient in water from the PR+ COSMOSAC model CM Hsieh, ST Lin Fluid Phase Equilibria 285 (1-2), 8-14

  2. Early structural development in melt-quenched polymer PTT from atomistic molecular dynamic simulations MK Hsieh, ST Lin Journal of Physics: Condensed Matter 21 (50), 505101

  3. Reply to “Comment on “Towards the development of theoretically correct liquid activity coefficient models”” ST Lin, MK Hsieh, CM Hsieh, CC Hsu, SN Huang The Journal of Chemical Thermodynamics 41 (11), 1314-1316

  4. Towards the development of theoretically correct liquid activity coefficient models ST Lin, MK Hsieh, CM Hsieh, CC Hsu The Journal of Chemical Thermodynamics 41 (10), 1145-1153

  5. Synthesis and characterization of low bandgap copolymers based on indenofluorene and thiophene derivative WC Yen, B Pal, JS Yang, YC Hung, ST Lin, CY Chao, WF Su Journal of Polymer Science Part A: Polymer Chemistry 47 (19), 5044-5056

  6. Theoretical Study on the Correlation between Band Gap, Bandwidth, and Oscillator Strength in Fluorene-Based Donor− Acceptor Conjugated Copolymers YC Hung, JC Jiang, CY Chao, WF Su, ST Lin The Journal of Physical Chemistry B 113 (24), 8268-8277

  7. Use of GAMESS/COSMO program in support of COSMO-SAC model applications in phase equilibrium prediction calculations S Wang, ST Lin, S Watanasiri, CC Chen Fluid Phase Equilibria 276 (1), 37-45

  8. First-principles predictions of vapor− liquid equilibria for pure and mixture fluids from the combined use of cubic equations of state and solvation calculations CM Hsieh, ST Lin Industrial & Engineering Chemistry Research 48 (6), 3197-3205

  9. Substituent Effect on the Optoelectronic Properties of Alternating Fluorene− Cyclopentadithiophene Copolymers B Pal, WC Yen, JS Yang, CY Chao, YC Hung, ST Lin, CH Chuang, ... Macromolecules 41 (18), 6664-6671

  10. Determination of cubic equation of state parameters for pure fluids from first principle solvation calculations CM Hsieh, ST Lin AIChE journal 54 (8), 2174-2181

  11. Improper matching of solvation energy components in Gex-based mixing rules ST Lin, MT Hsieh Fluid Phase Equilibria 269 (1-2), 139-142

  12. Molecular dynamics study on the dissolution mechanism of s1 methane hydrate YT Tung, ST Lin Comment on “Refinement of COSMO− SAC and the Applications” A Klamt, F Eckert Industrial & Engineering Chemistry Research 47 (4), 1351-1352

  13. Stress-Induced Crystallization of Poly (Trimethylene Terephthalate) Fibers by Molecular Dynamic Simulations MK Hsieh, ST Lin The 2008 Annual Meeting

  14. Determination of cubic equation of state parameters for pure and mixture fluids from first principle solvation calculations CM Hsieh, ST Lin The 2008 Annual Meeting

  15. Molecular Dynamic Simulations of Polymer Crystallization at the Early Stage MK Hsieh, ST Lin The 2007 Annual Meeting

  16. Prediction of Mixture Vapor-Liquid Equilibrium from the Peng-Robinson Equation of State with Gex-Based Mixing Rule MT Lee, MT Hsieh, ST Lin The 2007 Annual Meeting

  17. Solvation and chemical engineering thermodynamics ST Lin, CM Hsieh, MT Lee Journal of the Chinese Institute of Chemical Engineers 38 (5-6), 467-476

  18. Prediction of mixture vapor–liquid equilibrium from the combined use of Peng–Robinson equation of state and COSMO-SAC activity coefficient model through the Wong–Sandler mixing … MT Lee, ST Lin Fluid Phase Equilibria 254 (1-2), 28-34

  19. Entropy of water in the hydration layer of major and minor grooves of DNA B Jana, S Pal, PK Maiti, ST Lin, JT Hynes, B Bagchi The Journal of Physical Chemistry B 110 (39), 19611-19618

  20. Efficient and accurate solvation energy calculation from polarizable continuum models ST Lin, CM Hsieh The Journal of chemical physics 125 (12), 124103

  21. Thermodynamic equations of state from molecular solvation ST Lin Fluid phase equilibria 245 (2), 185-192

  22. Application of the COSMO− SAC− BP solvation model to predictions of normal boiling temperatures for environmentally significant substances S Wang, ST Lin, J Chang, WA Goddard, SI Sandler Industrial & engineering chemistry research 45 (16), 5426-5434

  23. Infrared spectroscopic analysis of poly (trimethylene terephthalate) from atomistic molecular dynamics simulations ST Lin, YT Tung Polymer Preprint

  24. Nanophase segregation and water dynamics in the dendrion diblock copolymer formed from the Frechet polyaryl ethereal dendrimer and linear PTFE SS Jang, ST Lin, T Çaǧın, V Molinero, WA Goddard The Journal of Physical Chemistry B 109 (20), 10154-10167

  25. Dynamics and thermodynamics of water in PAMAM dendrimers at subnanosecond time scales ST Lin, PK Maiti, WA Goddard The Journal of Physical Chemistry B 109 (18), 8663-8672

  26. Effect of solvent and pH on the structure of PAMAM dendrimers PK Maiti, T Çaǧın, ST Lin, WA Goddard Macromolecules 38 (3), 979-991

  27. Prediction of vapor pressures and enthalpies of vaporization using a COSMO solvation model ST Lin, J Chang, S Wang, WA Goddard, SI Sandler The Journal of Physical Chemistry A 108 (36), 7429-7439

  28. Lower cost methods for improved oil recovery (ior) via surfactant flooding WA Goddard III, Y Tang, P Shuler, M Blanco, SS Jang, ST Lin, P Maiti, ... California Institute of Technology (US)

  29. Molecular dynamics study of a surfactant-mediated decane− water interface: effect of molecular architecture of alkyl benzene sulfonate SS Jang, ST Lin, PK Maiti, M Blanco, WA Goddard, P Shuler, Y Tang The Journal of Physical Chemistry B 108 (32), 12130-12140

  30. Thermodynamic stability of Zimmerman self-assembled dendritic supramolecules from atomistic molecular dynamics simulations ST Lin, SS Jang, T Çaǧın, WA Goddard The Journal of Physical Chemistry B 108 (28), 10041-10052

  31. Efficiency of various lattices from hard ball to soft ball: Theoretical study of thermodynamic properties of dendrimer liquid crystal from atomistic simulation Y Li, ST Lin, WA Goddard Journal of the American Chemical Society 126 (6), 1872-1885

  32. A priori phase equilibrium prediction from a segment contribution solvation model (vol 41, pg 903, 2004) ST Lin, SI Sandler Industrial & Engineering Chemistry Research 43 (5), 1322-1322

  33. The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of Lennard-Jones fluids ST Lin, M Blanco, WA Goddard III The Journal of chemical physics 119 (22), 11792-11805

  34. Goddard III WA ST Lin, PK Maiti J. Chem. Phys. 2003, 119

  35. Henry's law constant of organic compounds in water from a group contribution model with multipole corrections ST Lin, SI Sandler Chemical engineering science 57 (14), 2727-2733

  36. The use of quantum chemistry to predict phase behavior for environmental and process engineering SI Sandler, ST Lin, AK Sum Fluid phase equilibria 194, 61-75

  37. A priori phase equilibrium prediction from a segment contribution solvation model ST Lin, SI Sandler Industrial & engineering chemistry research 41 (5), 899-913

  38. Some Chemical Engineering Applications of Quantum Chemical Calculations-References SI Sandler, AK Sum, ST Lin Advances in Chemical Engineering 28, 348-352

  39. Some Chemical Engineering Applications of Quantum Chemical Calculations-III Infinite Dilution Activity Coefficients and Partition Coefficients from Quantum Mechanical Continuum … SI Sandler, AK Sum, ST Lin Advances in Chemical Engineering 28, 325-334

  40. Some Chemical Engineering Applications of Quantum Chemical Calculations-VI Conclusions SI Sandler, AK Sum, ST Lin Advances in Chemical Engineering 28, 347-347

  41. Some Chemical Engineering Applications of Quantum Chemical Calculations-IV Use of Computational Quantum Mechanics to Improve Thermodynamic Property Predictions from Group … SI Sandler, AK Sum, ST Lin Advances in Chemical Engineering 28, 335-340

  42. Some Chemical Engineering Applications of Quantum Chemical Calculations-V Use of ab Initio Energy Calculations for Phase Equilibrium Predictions SI Sandler, AK Sum, ST Lin Advances in Chemical Engineering 28, 341-346

  43. Some Chemical Engineering Applications of Quantum Chemical Calculations-II Ab Initio Interaction Potentials and Molecular Simulations SI Sandler, AK Sum, ST Lin Advances in Chemical Engineering 28, 315-324

  44. Some chemical engineering applications of quantum chemical calculations SI Sandler, AK Sum, ST Lin Academic Press 28, 313-351

  45. Quantum mechanical approaches to the prediction of phase equilibria: Solvation thermodynamics and group contribution methods. ST Lin

  46. Multipole corrections to account for structure and proximity effects in group contribution methods: octanol− water partition coefficients ST Lin, SI Sandler The Journal of Physical Chemistry A 104 (30), 7099-7105

  47. Infinite dilution activity coefficients from ab initio solvation calculations ST Lin, SI Sandler AIChE journal 45 (12), 2606-2618

  48. Prediction of octanol− water partition coefficients using a group contribution solvation model ST Lin, SI Sandler Industrial & engineering chemistry research 38 (10), 4081-4091

  49. Salt effect on wetting/nonwetting behaviors LJ Chen, MC Hsu, ST Lin, SY Yang The Journal of Physical Chemistry 99 (13), 4687-4697