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076 2014 A predictive method for the solubility of drug in supercritical carbon dioxide The Journal of Supercritical Fluids Volume 85, January 2014, Pages 81–88 Li-Hsin Wang, Shiang-Tai Lin Link 
075 2014 Rapid determination of entropy for flexible molecules in condensed phase from the two-phase thermodynamic model RSC Adv., 2014, 4, 9522-9533 Pin-Kuang Lai ; Shiang-Tai Lin Link 
074 2013 Prediction of phase behaviors of ionic liquids over a wide range of conditions Fluid Phase Equilibria, 356, 309 - 320 Lee, B.-S.; Lin, S.-T. Link 
073 2013 Prediction of phase behaviors of polymer–solvent mixtures from the COSMO-SAC activity coefficient model Industrial & Engineering Chemistry Research, 52(37), 13505-13515 Kuo, Y.-C.; Hsu, C.-C.; Lin, S.-T. Link 
072 2013 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 the van der Waals-Platteeuw model Journal of Chemical Thermodynamics, 66, 34-43 Chin, H.-Y.; Hsieh, M.-K.; Chen, Y.-P.; Chen, P.-C.; Lin, S.-T.; Chen, L.-J. Link 
071 2013 Prediction of phase behaviors of acetic acid containing fluids Fluid Phase Equilibria, in press Chen, W.-L.; Hsu, C.-C.; Lin, S.-T Link 
070 2013 Measurements for the dissociation conditions of methane hydrate in the presence of 2,5-dihydrofuran and 3,4-dihydro-2H-pyran Fluid Phase Equilibria, 338, 114-118  Cheng, C.-T.; Chen, L.-J.; Lin, S.-T.; Tang, M.; Chen, P.-C.; Chen, Y.-P. Link 
069 2013 Fluid phase coexistence for the oxidation of CO2 expanded cyclohexane: Experiment, molecular simulation and COSMO-SAC AIChE Journal, 59(6), 2236-2250 Merker, T.; Hsieh, C.-M.; Lin, S.-T.; Hasse, H.; Vrabec, J. Link 
068 2012 Molecular dynamics study on the growth of structure I methane hydrate in aqueous solution of sodium chloride Journal of Physical Chemistry B, 116(48), 14115–14125 Tung, Y.-T., Chen, L.-J.; Chen, Y.-P.; Lin, S.-T. Link 
067 2012 Rapid determination of entropy and free energy of mixtures from molecular dynamics simulations with the two-phase thermodynamic model Physical Chemistry Chemical Physics, 14(43),15206-15213 Lai, P.-K.; Hsieh, C.-M.; Lin, S.-T. Link 
066 2012 Theoretical Investigation of the Metal-Doped SrTiO3 Photocatalysts for Water Splitting Journal of Physical Chemistry C, 116(14), 7897-7903 Chen, H.-C.; Huang, C.-W.; Wu, J. C. S.; Lin, S.-T. Link 
065 2012 Explicit pressure dependence of the Langmuir adsorption constant in the van der Waals-Platteeuw model for the equilibrium conditions of clathrate hydrates Fluid Phase Equilibria, 325, 80-89 Hsieh, M.-K.; Ting, W.-Y.; Chen, Y.-P.; Chen, P.-C.; Lin, S.-T.; Chen, L.-J. Link 
064 2012 Band structure engineering for low band gap polymers containing thienopyrazine Journal of Materials Chemistry, 22(15), 7331-7341 Chao, C.-Y.; Chao, C.-H.; Chen, L.-P.; Hung, Y.-C.; Lin, S.-T.; Su, W.-F.; Lin, C.-F. Link 
063 2012 The role of long-range interactions in the phase behavior of ionic liquids Physical Chemistry Chemical Physics, 14(18), 6520-6525 Lee, B.-S.; Lin, S.-T. Link 
062 2012 Stability of positively charged solutes in water: A transition from hydrophobic to hydrophilic Journal of Physical Chemistry Letters, 3(3), 294-298. Pascal, T. A.; Lin, S.-T.; Goddard, W. A. III; Jung, Y. Link 
061 2012 First-principles prediction of phase equilibria using the PR+COSMOSAC equation of state Asia-Pacific Journal of Chemical Engineering, 7(SUPPL. 1), S1-S10 Hsieh, C.-M.; Lin, S.-T. Link 
060 2012 Predictive method for the change in equilibrium conditions of gas hydrates with addition of inhibitors and electrolytes Industrial & Engineering Chemistry Research, 51(5), 2456–2469 Hsieh, M.-K.; Yeh, Y.-T.; Chen, Y.-P.; Chen, P.-C.; Lin, S.-T.; Chen, L.-J. Link 
059 2012 Effect of mixing rule boundary conditions on high pressure liquid-liquid equilibrium prediction Journal of Chemical Thermodynamics, 47, 33–41 Hsieh, M.-K.; Lin, S.-T. Link 
058 2011 In situ methane recovery and carbon dioxide sequestration in methane hydrates: A molecular dynamics simulation study Journal of Physical Chemistry B, 115(51), 15295-15302 Tung, Y.-T.; Chen, L.-J.; Chen, Y.-P.; Lin, S.-T. Link 
057 2011 Employing an amphiphilic interfacial modifier to enhance the performance of a poly(3-hexyl thiophene)/TiO(2) hybrid solar cell Journal of Materials Chemistry, 21(12), 4450-4456  Huang, Y.-C.; Hsu, J.-H.; Liao, Y.-C.; Yen, W.-C.; Li, S.-S.; Lin, S.-T.; Chen, C.-W.; Su, W.-F.  
056 2011 Thermodynamics of water entry in hydrophobic channels of carbon nanotubes Journal of Chemical Physics, 134(12), 124105  Kumar, H.; Mukherjee, B.; Lin, S.-T.; Dasgupta, C.; Sood, A. K.; Maiti, P. K.  
055 2011 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 Fluid Phase Equilibria, 308(1-2), 25-34 Tai, Y.-S.; Hsieh, M.-T.; Lee, M.-T.; Wong, D. S.-H.; Lin, S.-T.  
054 2011 Measurements for the dissociation conditions of methane hydrate in the presence of 1,3,5-trioxane and oxolan-2-ylmethanol Journal of Chemical and Engineering Data, 56(8), 3406-3410 Ko, W.-Y.; Chen, L.-J.; Lin, S.-T.; Chen, Y.-P.   
053 2011 Growth of structure I carbon dioxide hydrate from molecular dynamics simulations Journal of Physical Chemistry C, 115(15), 7504-7515 Tung, Y.-T.; Chen, L.-J.; Chen, Y.-P.; Lin, S.-T.  
052 2011 Absolute entropy and energy of carbon dioxide using the two-phase thermodynamic model Journal of Chemical Theory and Computation, 7(6), 1893-1901 Huang, S.-N.; Pascal, T. A.; Goddard, W. A. III; Maiti, P. K.; Lin, S.-T.  
051 2011 Prediction of miscibility gaps in water/ether mixtures using COSMO-SAC model Fluid Phase Equilibria, 310 (1-2), 19-24. Lin, S.-T.; Wang, L.-H.; Chen, W.-L.; Lai, P.-K.; Hsieh, C.-M.  
050 2011 Marching into molecular design Asia-Pacific Journal of Chemical Engineering, 6(2), 195-198 Lin, S.-T.  
049 2011 Prediction of drug solubility in mixed solvent systems using the COSMO-SAC activity coefficient model Industrial & Engineering Chemistry Research, 50(1), 142-147 Shu, C.-C.; Lin, S.-T.   
048 2011 Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics Physical Chemistry Chemical Physics, 13, 169-181 Pascal, T. A.; Lin, S.-T.; Goddard, W. A. III  
047 2011 A special tribute to Stan Sandler: The reach and impact of a life-long dedication to the chemical engineering profession Industrial & Engineering Chemistry Research, 50(1), 1-2 Sum, A. K.; Lin, S.-T.; Prausnitz, J. M.  
046 2011 A predictive model for the excess Gibbs free energy of fully dissociated electrolyte solutions AIChE Journal, 57(4), 1061-1074 Hsieh, M.-T.; Lin, S.-T.  
045 2011 A predictive model for the solubility and octanol-water partition coefficient of pharmaceuticals Journal of Chemical & Engineering Data, 56(4), 936-945 Hsieh, C.-M.; Wang, S.; Lin, S.-T.; Sandler, S. I.  
044 2011 First-principles prediction of vapor-liquid-liquid equilibrium from the PR+COSMOSAC equation of state Industrial & Engineering Chemistry Research, 50(3), 1496-1503 Hsieh, C.-M.; Lin, S.-T.  
043 2010 Entropy and dynamics of water in hydration layers of a bilayer Journal of Chemical Physics, 133(17), 174704 Debnath, A.; Mukherjee, B.; Ayappa, K. G.; Maiti, P. K.; Lin, S.-T.  
042 2010 The growth of structure I methane hydrate from molecular dynamics simulations Journal of Physical Chemistry B, 114(33), 10804-10813 Tung, Y.-T.; Chen, L.-J.; Chen, Y.-P.; Lin, S.-T.  
041 2010 Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations Journal of Physical Chemistry B, 114(24), 8191-8198 Lin, S.-T.; Maiti, P. K.; Goddard, W. A. III  
040 2010 Measurements for the dissociation conditions of methane hydrate in the presence of 2-methyl-2-propanol Journal of Chemical & Engineering Data, 55(11), 5036–5039 Kuo, P.-C.; Chen, L.-J.; Lin, S.-T.; Chen, Y.-P.  
039 2010 Improvements of COSMO-SAC for vapor–liquid and liquid–liquid equilibrium predictions Fluid Phase Equilibria, 297(1), 90-97 Hsieh, C.-M.; Sandler, S. I.; Lin, S.-T.  
038 2010 Prediction of liquid-liquid equilibrium from the Peng-Robinson plus COSMOSAC equation of state Chemical Engineering Science, 65(6), 1955-1963 Hsieh, C.-M.; Lin, S.-T.  
037 2009 Synthesis and characterization of low bandgap copolymers based on indenofluorene and thiophene derivative Journal of Polymer Science Part A: Polymer Chemistry, 47, 5044 - 5056 Yen, W.-C.; Pal, B.; Yang, J.-S.; Hung, Y.-C.; Lin, S.-T.; Chao, C.-Y.; Su, W.-F.  
036 2009 Use of GAMESS/COSMO program in support of COSMO-SAC model applications in phase equilibrium prediction calculations Fluid Phase Equilibria, 276, 37-45 Wang, S.; Lin, S.-T.; Watanasiri, S.; Chen, C.-C.  
035 2009 Reply To "Towards the development of theoretically correct liquid activity coefficient models" Journal of Chemical Thermodynamics, 41, 1314-1316 Lin, S.-T.; Hsieh, M.-K.; Hsieh, C.-M.; Hsu, C.-C.; Huang, S.-N.  
034 2009 Towards the development of theoretically correct liquid activity coefficient models Journal of Chemical Thermodynamics, 41, 1145-1153 Lin, S.-T.; Hsieh, M.-K.; Hsieh, C.-M.; Hsu, C.-C.  
033 2009 Theoretical study on the correlation between band gap, bandwidth, and oscillator strength in fluorene-based donor-acceptor conjugated copolymers Journal of Physical Chemistry B, 113, 8268-8277 Hung, Y.-C.; Jiang, J.-C.; Chao, C.-Y.; Su, W.-F.; Lin, S.-T.  
032 2009 Early structural development in melt-quenched polymer PTT from atomistic molecular dynamic smulations Journal of Physics: Condensed Matter 2009, 21, 505101 Hsieh, M.-K.; Lin, S.-T.  
031 2009 Prediction of 1-octanol-water partition coefficient and infinite dilution activity coefficient in water from the PR+COSMOSAC model Fluid Phase Equilibria, 285, 8-14 Hsieh, C.-M.; Lin, S.-T.  
030 2009 First-principles predictions of vapor-liquid equilibria for pure and mixture fluids from the combined use of cubic equations of state and solvation calculations Industrial & Engineering Chemistry Research, 48, 3197-3205 Hsieh, C.-M.; Lin, S.-T.  
029 2008 Reply to "Comments on 'Refinement of COSMO-SAC and the applications'" Industrial & Engineering Chemistry Research, 47, 1353-1354 Sandler, S. I.; Wang, S.; Lin, S.-T.; Goddard, W. A. III  
028 2008 Substituent effect on the optoelectronic properties of alternating fluorene-cyclopentadithiophene copolymers Macromolecules, 41, 6664-6671 Pal, B.; Yen, W.-C.; Yang, J.-S.; Chao, C.-Y.; Hung, Y.-C.; Lin, S.-T.; Chuang, C.-H.; Chen, C.-W.; Su, W.-F.  
027 2008 Improper matching of solvation energy components in G(Ex)-based mixing rules Fluid Phase Equilibria, 269, 139-142 Lin, S.-T.; Hsieh, M.-T.  
026 2008 Determination of cubic equation of state parameters for pure fluids from first principle solvation calculations AIChE Journal, 54, 2174-2181 Hsieh, C.-M.; Lin, S.-T.  
025 2007 Solvation and chemical engineering thermodynamics Journal of the Chinese Institute of Chemical Engineers, 38, 467-476 Lin, S.-T.; Hsieh, C.-M.; Lee, M.-T.  
024 2007 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 rule Fluid Phase Equilibria, 254, 28-34 Lee, M.-T.; Lin, S.-T.  
023 2006 Reply to comment On "Application of the COSMO-SAC-BP solvation model to predictions of normal boiling temperatures for environmentally significant substances" Industrial & Engineering Chemistry Research, 45, 3767-3767 Wang, S.; Lin, S.-T.; Chang, J.; Goddard, W. A. III; Sandler, S. I.  
022 2006 Application of the COSMO-SAC-BP solvation model to predictions of normal boiling temperatures for environmentally significant substances Industrial & Engineering Chemistry Research, 45, 5426-5434 Wang, S.; Lin, S.-T.; Chang, J.; Goddard, W. A. III; Sandler, S. I.  
021 2006 Efficient and accurate solvation energy calculation from polarizable continuum models Journal of Chemical Physics, 125, 124103 Lin, S.-T.; Hsieh, C.-M.  
020 2006 Thermodynamic equations of state from molecular solvation Fluid Phase Equilibria, 245, 185-192 Lin, S.-T.  
019 2006 Entropy of water in the hydration layer of major and minor grooves of DNA Journal of Physical Chemistry B, 110, 19611-19618 Jana, B.; Pal, S.; Maiti, P. K.; Lin, S.-T.; Hynes, J. T.; Bagchi, B.  
018 2005 Effect of solvent and pH on the structure of PAMAM dendrimers Macromolecules, 38, 979-991 Maiti, P. K.; Cagin, T.; Lin, S.-T.; Goddard, W. A. III  
017 2005 Dynamics and thermodynamics of water in PAMAM dendrimers at subnanosecond time scales Journal of Physical Chemistry B, 109, 8663-8672 Lin, S.-T.; Maiti, P. K.; Goddard, W. A. III  
016 2005 Nanophase segregation and water dynamics in the dendrion diblock copolymer dormed from the frechet polyaryl ethereal dendrimer and linear PtFe Journal of Physical Chemistry B, 109, 10154-10167 Jang, S. S.; Lin, S.-T.; Cagin, T.; Molinero, V.; Goddard, W. A. III  
015 2004 Thermodynamic stability of Zimmerman self-assembled dendritic supramolecules from atomistic molecular dynamics simulations Journal of Physical Chemistry B, 108, 10041-10052 Lin, S.-T.; Jang, S. S.; Cagin, T.; Goddard, W. A. III  
014 2004 Prediction of vapor pressures and enthalpies of vaporization using a COSMO solvation model Journal of Physical Chemistry A, 108, 7429-7439 Lin, S.-T.; Chang, J.; Wang, S.; Goddard, W. A. III; Sandler, S. I.  
013 2004 Efficiency of various lattices from hard ball to soft ball: theoretical study of thermodynamic properties of dendrimer liquid crystal from atomistic simulation Journal of the American Chemical Society, 126, 1872-1885 Li, Y. Y.; Lin, S.-T.; Goddard, W. A. III  
012 2004 Molecular dynamics study of surfactant-mediated decane/water interface: effect of molecular architecture of alkyl benzene sulfonate Journal of Physical Chemistry B, 108, 12130-12140 Jang, S. S.; Lin, S.-T.; Maiti, P. K.; Blanco, M.; Goddard, W. A. III; Shuler, P.; Tang, Y.  
011 2003 The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: validation for the phase diagram of Lennard-Jones fluids Journal of Chemical Physics, 119, 11792-11805 Lin, S.-T.; Blanco, M.; Goddard, W. A. III  
010 2002 The use of quantum chemistry to predict phase behavior for environmental and process engineering Fluid Phase Equilibria, 194, 61-75 Sandler, S. I.; Lin, S.-T.; Sum, A. K.  
009 2002 Reply to comments on "A priori phase equilibrium prediction from a segment contribution solvation model" Industrial & Engineering Chemistry Research, 41, 2332-2334 Lin, S.-T.; Sandler, S. I.  
008 2002 A priori phase equilibrium prediction from a segment contribution solvation model Industrial & Engineering Chemistry Research, 41, 899-913 Lin, S.-T.; Sandler, S. I.  
007 2002 Henry's law constant of organic compounds in water from a group contribution model with multipole corrections Chemical Engineering Science, 57, 2727-2733. Lin, S.-T.; Sandler, S. I.  
006 2001 Some chemical engineering applications of quantum chemical calculations Advances in Chemical Engineering, 28, 313-351. Sandler, S. I.; Sum, A. K.; Lin, S.-T.  
005 2000 Multipole corrections to account for structure and proximity effects in group contribution methods: octanol-water partition coefficients Journal of Physical Chemistry A, 104, 7099-7105 Lin, S.-T.; Sandler, S. I.  
004 1999 Prediction of octanol-water partition coefficients using a group contribution solvation model Industrial & Engineering Chemistry Research, 38, 4081-4091 Lin, S.-T.; Sandler, S. I.  
003 1999 Infinite dilution activity coefficients from ab initio solvation calculations AIChE Journal, 45, 2606-2618 Lin, S.-T.; Sandler, S. I.  
002 1995 Salt effect on wetting/nonwetting behaviors Journal of Physical Chemistry, 99, 4687-4697 Chen, L.-J.; Hsu, M.-C.; Lin, S.-T.; Yang, S.-Y.  
001 1994 Salt effects on interfacial behavior at liquid-liquid interfaces in the water+n-tetradecane+C6E2 system Progress in Colloid and Polymer Science, 97, 209-240. Chen, L.-J.; Hsu, M.-C.; Lin, S.-T.  
Showing 76 items