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Timestamp: 2019-04-22 02:32:15+00:00

Document:
H. S. Wu, W. E. Locke III and S. I. Sandler, “Liquid-Vapor Equilibria and Excess Gibbs Energies of Pyrrolidine + Cyclohexane, + Oxolane, or + Ethanol”, International Data Series, Ser. A, Selected Data on Mixtures, 2, 111-119, (1990).
J. Chang and S. I. Sandler,”The Correlation Functions of Hard-sphere Chain Fluids: Comparison of the Wertheim Integral Equation Theory with the Monte Carlo Simulation” J. Chem. Phys. 102, 437-449 (1995).
Y. H. Fu and S. I. Sandler,”A Simplified SAFT Equation of State of Associating Compounds and Mixtures.” IEC Research 34, 1897-1909 (1995).
H. Orbey and S. I. Sandler, “The Equation of State Modeling of Refrigerant Mixtures”. IEC Research 34, 2520-2525 (1995).
S. I. Sandler and K. N. Marsh,”Oxygenate Vapor-Liquid Equilibrium in Gasolines” Encyclopedia of Analytical Chemistry, R. A. Meyers (Editor), pp. 6900-6911, J. Wiley, Chichester, England, 2000.
A. K. Sum and S. I. Sandler, “Molecular Simulation for Acetonitrile and Methanol Based on ab inition Plus Polarizable Potential” in Foundations of Molecular Modeling and Simulation, P. T. Cummings and P. R. Westmoreland eds., AIChE Symposium Series No. 325, Vol. 97, 2001.
Y. Demirel and S. I. Sandler, “Thermodynamics and Bioenergetics” . Biophysical Chem. J. 97, 87-111 (2002).
A. K. Sum and S. I. Sandler , “Ab Initio Pair Potential and Phase Equilibria Predictions for the Refrigerant Methyl Fluoride” . Molecular Physics 100, 2433-2447 (2002).
P. M. Tessier, S. D. Vandrey, B. W. Berger, R. Pazhianur, S. I. Sandler and A. M. Lenhoff. “Self-interaction chromatography: a novel screening method for rational protein crystallization” Acta Cryst. D Biological Crystallography 58, 1531-1535 (2002).
S. I. Sandler, “Isothermal Processes” Invited for publication in the 6th edition of the Encyclopedia of Science and Technology, Volume 9, McGraw-Hill, 2002.
“Ab initio Pair Potential and Phase Equilibria Predictions for Hydrogen Chloride ” by P. K. Naicker, A. K. Sum and S. I. Sandler. J. Chem. Phys. 118, 4086-4093 (2003).
“Predictive Crystallization of Ribonuclease A via Rapid Screening of Osmotic Second Virial Coefficients” by P. M. Tessier, H. R. Johnson, R. Pazhianur, B. W. Berger, J. L. Prentice, B. J. Bahnson, S. I. Sandler and A. M. Lenhoff. Proteins: Structure, Function and Genetics 50, 303-311 (2003).
“Phase Behavior of Clathrate Hydrates: A Model for Single and Multiple Gas Component Hydrates” by J. B. Klauda and S. I. Sandler. Chem. Eng. Science 58, 27-41 (2003).
“Molecular Simulation of O2 and N2 Adsorption in Nanoporous Carbon – C168 Schwarzite” by J. Jiang, J. B. Klauda and S. I. Sandler. Langmuir 19, 3512-3518 (2003).
“Determination of Liquid-Solid Transition Using Histogram Reweighting Method and Expanded Ensemble Simulations” by J. Chang and S. I. Sandler. J. Chem. Phys. 118, 8390-8395 (2003).
“Time is Running Out to Destroy Weapons of Mass Destructon” by S. I. Sandler. Australasian Science 24, 24-26 (2003); also featured on the cover and page 1 and page 3 highlights.
“Monte Carlo Simulation of O2 and N2 Mixture Adsorption in Nanoporous Carbon (C168 Schwarzite)” by J. Jiang and S. I. Sandler. Langmuir 19, 5936-5941 (2003).
“Quantum Mechanics: A New Tool for Engineering Thermodynamics” by S. I. Sandler. Fluid Phase Equilibria 210, 147-160 (2003).
“Vapor-liquid equilibria and critical points of the CO2 +1-hexanol and CO2 +1-heptanol Systems” by O. Elizade-Solis, L. A. Galicia-Luna, S. I. Sandler and J. G. Sampayo-Hernández. Fluid Phase Equilibria 210, 215-227 (2003).
“Predictions of Gas Hydrate Phase Equilibria in Natural Sediment Porous Media” by J. B. Klauda and S. I. Sandler. Marine and Petroleum Geology 20, 459-470 (2003).
“A New Model for the Viscosity of Electrolyte Solutions” by Jianwen Jiang and S. I. Sandler. IEC Research 42, 6267-6272 (2003).
“Activities of Dilute Electrolyte Solutions Near the Critical Point of Water” by J. A. Myers, S. I. Sandler, R. H. Wood and V. N. Balashov. J. Phys. Chem B 107, 10906-10911 (2003).
“Nitrogen Adsorption in Carbon Nanotube Bundles: Role of the External Surface” by J. Jiang and S. I. Sandler. Phys. Rev. B., 68, 245412 (2003). Also online published in the Virtual Journal of Nanoscience & Technology, 8(26), December 29, 2003.
“Capillary Phase Transitions of n-Alkanes in a Carbon Nanotube” by J. Jiang, S. I. Sandler, and B. Smit. Nanoletters 4, 241-244 (2004).
“Nonequilibrium Thermodynamics in Engineering” by Y. Demirel and S. I. Sandler. J. Phys. Chem. B 108, 31-43 (2004).
“Determination of Fluid-Solid Transitions in Protein Solutions Using the Histogram Reweighting Method and Expanded Ensemble Simulations” by J. Chang, A. M. Lenhoff and S. I. Sandler. J Chem. Phys. 120, 3003-3014 (2004).
“An Ab Initio Study on the Effect of Carbon Surface Curvature and Ring Structure on N2(O2)-Carbon Intermolecular Potentials” by J. B. Klauda, J. Jiang, and S. I. Sandler. J. Phys. Chem. B, 108, 9842-9851 (2004).
“Hierarchial Modeling O2 and N2 Adsorption in C168 Schwarzite: From Quantum Mechanics to Molecular Simulation” by J. Jiang, J. B. Klauda and S. I. Sandler. J. Phys. Chem. B, 108, 9852-9860 (2004).
“The Thermodynamics of Solutions” by S. I. Sandler and H. Orbey in The Engineering Handbook, 2nd edition, CRC Press, pp. 47-1 to 8, 2004.
“Direct Measurement of Protein Osmotic Cross Second Virial Coefficients by Cross-Interaction Chromatography” by P. M. Tessier, S. I. Sandler, and A. M. Lenhoff. Protein Science 13, 1379-1390 (2004).
“A Monte Carlo Simulation Study of the Effect of Carbon Topology on Nitrogen Adsorption on Graphite, Nanotube Bundle, C60 fullerene, C168 Schwarzite, and Nanoporous Carbon” by J. Jiang, N. J. Wagner and S. I. Sandler. Phys. Chem. Chem. Phys., 6, 4440-4444 (2004).
“Modeling The High-Pressure Behavior Of Binary Mixtures Of Carbon Dioxide+Alkanols Using An Excess Free Energy Mixing Rule” by M. Castier, L.A. Galicia-Luna and S.I. Sandler. Braz. J. Chem. Eng. 21, 659-666 (2004).
“Adsorption and Diffusion of Molecular Nitrogen in Single Wall Carbon Nanotubes” by G. Arora, N. J. Wagner and S.I. Sandler. Langmuir 20, 6268-6277 (2004).
“Prediction of Vapor Pressures and Enthalpies of Vaporization using a COSMO Solvation Model” by S.-T. Lin, J. Chang, S. Wang, W. A. Goddard III and S. I. Sandler. J. Phys. Chem. A., 108 7429-7439 (2004).
“Correlation of Diafiltration Sieving Behavior for Lysozyme and BSA Mixtures with Osmotic Second Virial Cross Coefficients” by P. M. Tessier, V. J. Verruto, S. I. Sandler, and A. M. Lenhoff. Biotech. and Bioeng., 87, 303-310 (2004).
“Interatomic Lennard-Jones Potentials of Linear and Branched Alkanes Calibrated by Gibbs Ensemble Simulations for Vapor-Liquid Equilibria” by J. Chang and S. I. Sandler. J. Chem. Phys., 121, 7474-7483 (2004). Also appeared in the Virtual Journal of Biophysical Research, 8(8), Oct. 15, 2004.
“Capillary Phase Transition of n-Alkanes in a Carbon Nanotube” by J. Jiang, S. I. Sandler and B. Smit, Nanoletters, 4, 241-244 (2004).
“Thermodynamic Properties from Quantum Chemistry” by S. I. Sandler in Chapter 5 in “Chemical Thermodynamics in Industry” edited by T. Letcher, published by the Royal Society of Chemistry, Cambridge, England, 2004, pp. 43-56.
“Interatomic Lennard-Jomes Potentials of Linear and Branched Alkanes Calibrated by Gibbs Ensemble Simulations for Vapor-Liquid Equilibria” by J. Chang and S. I. Sandler, J. Chem. Phys. 121, 7474-7483 (2004).
“An Accurate Intermolecular Potential for Acetylene from Quantum Chemistry for Phase Behavior Predictions” by S. L. Garrison and S. I. Sandler. A J. Phys. Chem. B 108, 18972-18979 (2004).
“Nitrogen and Oxygen Adsorption on Carbon Nanotube Bundles from Molecular Simulation” by J. W. Jiang and S. I. Sandler, Langmuir 20, 10910-10918 (2004).
“Hierarchial Modelling of N2 Adsorption on the Surface of and Within a C60 Crystal: From Quantum Mechanics to Molecular Simulation” by J. W. Jiang, J. B. Klauda and S. I. Sandler, J. Phys. Chem B 109, 4731-4737 (2005).
“Global Distribution of Methane Hydrate in Ocean Sediment” by J. B. Klauda and S. I. Sandler. Energy & Fuels, 19, 459-470 (2005).
“Adsorption and Phase Transitions on Nanoporous Carboneaous Materials: Insights from Molecular Simulations” by J. W. Jiang and S. I. Sandler, Fluid Phase Equilibria 228, 189-195 (2005).
“Air Separation by Single Wall Carbon Nanotubes: Thermodynamics and Adsorptive Selectivity” by G. Arora and S. I. Sandler, J. Chem. Phys. 123, Art. No. 044705 (Jul 22 2005).
“Adsorption and Separation of Linear and Branched Alkanes in Carbon Nanotube Bundles from Configurational-bias Monte Carlo Simulation” by J. W. Jiang, S. I. Sandler M. Schenk and B. Smit, Phys. Rev. B 72, Art. No. 045447 (July 2005).
“Separation of CO2 and N2 by Adsorption in C168 Schwarzite: A Combination of Quantum Mechanics and Molecular Simulation Study” by J. Jiang and S. I. Sandler. J. Amer. Chem. Soc. 127, 11989-11997 (2005).
“The Combined Simulation Approach of Atomistic and Continuum Models for the Thermodynamic of Lysozyme Crystals” by J. Chang, A. M. Lenhoff and S. I. Sandler, J. Phys. Chem. B, 109, 19507-19515 (2005).
“Effects of Conformational Distributions on Sigma Profiles in COSMO Theories” by S. Wang, J. M. Stubbs, J. I. Siepmann, J. Phys. Chem A 109, 11285-11294 (2005).
“Shape Versus Inverse-shape Selective Adsorption of Alkane Isomers in Carbon Nanotubes” by J. Jiang and S. I. Sandler, J. Chem. Phys, 124, Art. No. 024717 (Jan 14 2006).
“Air Separation by Single Wall Carbon Nanotubes: Mass Transport and Kinetic Selectivity” by G. Arora and S. I. Sandler, J. Chem. Phys. 124, Art. No. 084702 (2006). Also appeared in the Virtual Journal of Nanoscale Science and Technology 13(9), March 6 2006.
“Kinetics and Equilibria of Lysozyme Precipitation and Crystallization in Concentrated Ammonium Sulfate Solutions”, by Y.-C. Cheng, R. F. Lobo, S. I. Sandler and A. M. Lenhoff, Biotech. Bioeng., 94, 177-188 (2006).
“Mass Transport of O2 and N2 in Nanoporous Carbon (C168 schwarzite) Using a Quantum Mechanical Force Field and Molecular Dynamics Simulations” by G. Arora and S. I. Sandler, Langmuir 22, 4620-4628 (2006).
“Capillary Phase Transition of Linear and Branched Alkanes in Carbon Nanotubes from Molecular Simulation” by J. Jiang and S. I. Sandler, Langmuir, 22, 7391-7399 (2006).
“Sigma-Profile Database for Using COSMO-Based Thermodynamic Methods” by E. Mullins, Y. A. Liu, R. Oldland, S. Wang, S. I. Sandler, C.-C. Chen, M. Zwolak and K. C. Seavey. Ind. Eng. Chem. Res., 45, 4389-4415 (2006).
“Monte Carlo Simulation for the Adsorption and Separation of Linear and Branched Alkanes in IRMOF-1” by J. W. Jiang and S. I. Sandler, Langmuir 22, 5702-5707 (2006).
“Free energy of the solid C60 fullerene orientational order-disorder transition” by J. Chang and S. I. Sandler. Journal of Chemical Physics 125, 054705 (2006). Also appeared in the Virtual Journal of Nanoscale Science and Technology, August 14, 2006.
“Application of the COSMO-SAC-BP Solvation Model to Predictions of Normal Boiling Temperatures for Environmentally Significant Substances” by S. Wang, S.-T. Lin, J. Chang, W. A. Goddard III and S. I. Sandler. Ind. Eng. Chem. Res. 45, 5426-5434 (2006).
“Correlation of Vapor-Liquid Equilibria for Binary Mixtures with Free Energy-Based Equation of State Mixing Rules: Carbon Dioxide with Alcohols, Hydrocarbons and Several Other Compounds” by C. Kwak, S. I. Sandler and H. S. Byun. Korean Journal of Chemical Engineering 23, 1016-1022 (2006).
“Thermodynamics” by S. I. Sandler, Kirk-Othmer Encyclopedia, Fifth edition, J. Wiley & Sons, 2006, Vol. 24, 641-695.
“Storage and Separation of CO2 and CH4 in Silicalite, C168 Schwarzite, and IRMOF-1: A Comparative Study from Monte Carlo Simulation” by R. Babarao, Z. Hu, J. Jiang, S. Chempath and S. I. Sandler. Langmuir, 23, 659-666 (2007).
“Solvation Free Energy of Amino Acids and Side-Chain Analogs”, by J. Chang, A. M. Lenhoff and S. I. Sandler. J. Phys. Chem. B 111, 2098-2106 (2007).
“Molecular Sieving Using Single Wall Carbon Nanotubes” by G. Arora and S. I. Sandler. Nano Letters 7, 565-569 (2007).
“Quantum Mechanics: An Underutilized Tool in Thermodynamics” by S. I. Sandler and M. Castier. Pure and Applied Chemistry, 79, 1345-1359 (2007).
“Nanoporous Carbon Membranes for Separation of Nitrogen and Oxygen: Insight From Molecular Simulations” by G. Arora and S. I. Sandler. Fluid Phase 259, 3-8 (2007).
"Thermodynamic Properties for the Triangular-Well Fluid" by F. F. Betancourt-Cárdenas, L. A. Galicia-Luna and S. I. Sandler. Molec. Phys. 105, 2987-2998 (2007).
"Equation of State for the Lennard-Jones Fluid Based on the Perturbation Theory" by F. F. Betancourt-Cárdenas, L. A. Galicia-Luna and S. I. Sandler. Fluid Phase Equilibria 264, 174-183 (2008).
“Salting-Out of Lysozyme and Ovalbumin from Mixtures: Predicting Precipitation Performance from Protein-Protein Interactions” by Y.-C. Cheng, C. L. Bianco, S. I. Sandler and A. M. Lenhoff. IEC Res. 47, 5203-5213 (2008).
“Water in hydrated orthorhombic lysozyme crystal: Insight from atomistic simulations” by Z. Hu, J. Jiang and S. I. Sandler. J. Chem. Phys. 129, Article Number: 075105 (2008).
“Molecular Simulations for Adsorptive Separation of CO2/CH4 Mixture in Metal-Exposed, Catenated and Charged Metal-Organic Frameworks” by R. Babarao, J. Jiang and S. I. Sandler. Langmuir 25, 5239-5247 (2009). Graphic from this article appeared as cover art that the May 5, 2009 issue of Langmuir.
“Historical Observations on Laws of Thermodynamics” by S. I. Sandler and L. V. Woodcock, J. Chem. Eng. Data 55, 4485-4490 (2010).
“Prediction of the Phase Behavior of Ionic Liquid Solutions” by L. Yang, S. I. Sandler, C. Peng, H. Liu and Y. Hu. I&EC Research, 49, 12596-12604 (2010).
“Critical behavior of pure confined fluids from an extension of the van der Waals equation of state” by L. Travalloni, M. Castier, F. W. Tavares and S. I. Sandler. J. Supercrit. Fluids, 55, 455-461 (2010).
“The Generalized van der Waals Partition Function as a Basis for Excess Free Energy Models” byby S. I. Sandler. J. Supercrit. Fluids, 55, 496-502 (2010).
“A Predictive Model for the Solubility and Octanol-Water Partition Coefficient of Pharmaceuticals” by C. M. Hsieh, S. Wang, S.-T. Lin and S. I. Sandler. J. Chem. Eng. Data 56, 936-945 (2011).
“A Method to Calculate the One-Electron Reduction Potentials for Nitroaromatic Compounds Based on Gas-Phase Quantum Mechanics” by K. L. Phillips, S. I. Sandler and P. C. Chiu. J. Comp. Chem. 32, 226-239 (2011).
An Experimental Evaluation and Molecular Simulation of High Temperature Gas Adsorption on Nanoporous Carbon”, by C. J. Anderson, W. D. Tao, J. W. Jiang, S. I. Sandler, G. W. Stevens and S. E. Kentish, Carbon, 49, 117-125 (2011).
“Interactions and Phase Behavior of a Monoclonal Antibody” by R. Lewus, P. A. Darcy, A. M. Lenhoff and S. I. Sandler. Biotechnology Progress, 27, 280-289 (2011).
“Salting-in Characteristics of Globular Proteins” by R. W. Maurer, S. I. Sandler and A. M. Lenhoff. Biophysical Chemistry, 156, 72-78 (2011).
“Reduction Rate Constants for Nitroaromatic Compounds Estimated from One-Electron Reduction Potentials” by ” by K. L. Phillips, P. C. Chiu and S. I. Sandler. Env. Sci. and Tech. 44, 7431-7436, (2011).
“Alcohol Adsorption onto Silicalite from Aqueous Solution” by R. Xiong, S. I. Sandler and D. G. Vlachos. J. Phys. Chem C. 115, 18659–18669 (2011).
“Xylose Isomerization to Xylulose and its Dehydration to Furfural in an Aqueous Medium” by V. Choudhary, A. B. Pinar, S. I. Sandler, D. G. Vlachos and R. F. Lobo. ACS Catalysis 1, 1724-1728 (2011).
“A Perspective on the Modeling of Biomass Processing” by V. Choudhary, C. Mackintosh, M. Salciccioli, S. Mushrif, R. Xiong, N. Guo, S. Caratzoulas, D. J. Doren, S. I. Sandler, and D. G. Vlachos. Energy & Environ. Science, 5, 6703-6716 (2012).
“Thermochemistry of Glucose Dehydration Reactions in Solution” by V. Choudhary, R. I. Burnett, D. G. Vlachos and S. I. Sandler and. Physical Chemistry C, 116, 5116-5120 (2012).
“Molecular Screening of Alcohol and Polyol Adsorption onto MFI-type Zeolites” by R. Xiong, S. I. Sandler and D. G. Vlachos. Langmuir 28, 4491-4499 DOI: 10.1021/la204710j, Mar 6 2012.

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