Book

Metastable Liquids. Concepts and Principles. Princeton University Press, 1996.
 

Edited Book

Supercritical Fluids.  Fundamentals and Applications.  E. Kiran, P.G. Debenedetti, and C.J. Peters, eds. NATO Science Series E:  Applied Sciences. Vol. 366. Kluwer, 2000.

Journal Articles

1) "Steady State Analysis of High Temperature Fuel Cells." Chem. Eng. Sci., 38, 1817 , 1983; with C.G.Vayenas.

2) "The Thermodynamic Fundamentals of Exergy." Chem. Eng. Ed., 18, 116, 1984.

3) "Cross-Flow, Solid-State Electrochemical Reactors: a Steady-State Analysis." Ind. Eng. Chem. Fund., 24, 316, 1985; with C.G. Vayenas, I. Yentekakis, and L. Hegedus.

4) "On the Relationship Between Principal Fluctuations and Stability Coefficients in Multicomponent Systems." J. Chem. Phys., 84, 1778, 1986.

5) "On the Nature of the Tensile Instability in Metastable Liquids and its Relationship to Density Anomalies." J. Chem. Phys., 84, 3339 , 1986; with M. D'Antonio.

6) "Generalized Massieu-Planck Functions: Geometric Representation, Extrema and Uniqueness Properties." J. Chem. Phys., 85, 2132, 1986.

7) "Infinite Dilution Fugacity Coefficients and the General Behavior of Dilute Binary Systems." AIChEJ., 32, 1253, 1986; with S. Kumar.

8) "Diffusion and Mass Transfer in Supercritical Fluids." AIChEJ., 32, 2034, 1986; with R.C.Reid.

9) "On the Entropy Changes and Fluctuations Occurring Near a Tensile Instability." J. Chem. Phys., 85, 4005, 1986; with M.D'Antonio.

10) "Derivation of Operational Definitions for the Computer Calculation of Partial Molar Properties in Multicomponent Mixtures." Chem. Phys. Lett., 132, 325, 1986.

11) "Loss of Tensile Strength in Liquids Without Property Discontinuities: a Thermodynamic Analysis." J. Chem. Phys., 86, 2229, 1987; with M.D'Antonio.

12) "Fluctuation-based Computer Calculation of Partial Molar Properties . I . Molecular Dynamics Simulation of Constant Volume Fluctuations." J. Chem. Phys., 86, 7126, 1987.

13) "The Statistical Mechanical Theory of Concentration Fluctuations in Mixtures." J. Chem. Phys., 87, 1256, 1987.

14) "Clustering in Dilute, Binary Supercritical Mixtures: a Fluctuation Analysis." Chem. Eng. Sci., 42, 2203, 1987.

15) "Fluctuation-based Computer Calculation of Partial Molar Properties. II. A Numerically Accurate Method for the Determination of Partial Molar Energies and Enthalpies." J. Chem. Phys., 88, 2681, 1988.

16) "Stability and Tensile Strength of Liquids Exhibiting Density Maxima." AIChEJ., 34, 447, 1988; with M.D'Antonio.

17) "The Molecular Basis of Temperature Effects in Supercritical Extraction." AIChEJ., 34, 645, 1988; with S.Kumar.

18) "Disproportionation of Toluene over ZSM-5 under Near-Critical Conditions." AIChEJ., 34, 1211, 1988; with N.Collins and S.Sundaresan.

19) "Thermodynamic Stability of Single-Phase Fluids and Fluid Mixtures Under the Influence of Gravity." J. Chem. Phys., 89, 6881, 1988.

20) "Effect of Process Conditions on Crystals Obtained from the Rapid Expansion of Supercritical Mixtures." AIChEJ., 35, 325, 1989; with R.S. Mohamed and R.K. Prud'homme.

21) "Fluctuation Simulations and the Calculation of Mechanical Partial Molar Properties." Molecular Simulation, 2, 33, 1989.

22) "Attractive, Weakly Attractive, and Repulsive Near-Critical Systems." J. Chem. Phys., 90, 4528, 1989; with R.S. Mohamed.

23) "A Novel Fused Metal Anode Solid Electrolyte Fuel Cell for Direct Coal Gasification: A Steady State Model." Ind. Eng. Chem. Res., 28, 1414, 1989; with I.Yentekakis and B.Costa.

24) "Solute-Solvent Interactions in Infinitely Dilute Supercritical Mixtures: A Molecular Dynamics Investigation." J. Chem. Phys., 91, 7075, 1989; with I. Petsche.

25) "A Molecular Dynamics Study of the Influence of Elongation and Quadrupole Moment Upon Some Thermodynamic and Transport Properties of Linear Heteronuclear Triatomic Fluids." J. Chem. Phys., 91, 7818, 1989; with A. Chialvo and D. Heath.

26) "Clustering in Supercritical Mixtures: Theory, Applications and Simulations." Fluid Phase Equilibria, 52, 347, 1989; with I. Petsche and R.S. Mohamed.

27) "Homogeneous Nucleation in Supercritical Fluids." AIChEJ., 36, 1289, 1990 .

28) "On the Use of the Verlet Neighbor List in Molecular Dynamics." Computer Phys . Commun., 60 , 215 , 1990; with A. Chialvo .

29) "Influence of Solute-Solvent Asymmetry Upon the Behavior of Dilute Supercritical Mixtures." J . Phys. Chem., 95 , 386 ,1991 ; with I . Petsche .

30) "On the Performance of an Automated Verlet Neighbor List Algorithm for Large Systems on a Vector Processor." Computer Phys. Commun., 64 ,15 ,1991; with A. Chialvo.

31) "Use of the McQuarrie Equation for the Computation of Shear Viscosity via Equilibrium Molecular Dynamics." Phys. Rev. A, 43, 4289, 1991; with A. Chialvo.

32) "Spinodal Curve of Some Supercooled Liquids." J. Phys. Chem., 95, 4540, 1991; with V. S. Raghavan and S. S. Borick.

33) "Particle Formation with Supercritical Fluids - A Review." J. Aerosol Sci., 22, 555, 1991; with J. Tom.

34) "Formation of Bioerodible Polymeric Microspheres and Microparticles by Rapid Expansion of Supercritical Solutions." Biotech.Prog., 7, 403, 1991; with J. Tom.

35) "Study of Solute-Solvent Interactions at Infinite Dilution via the Coupling Parameter Approach." Molecular Simulation, 7, 265, 1991; with A. Chialvo.

36) "Molecular Dynamics Study of Solute-Solute Microstructure in Attractive and Repulsive Supercritical Mixtures." Ind. Eng. Chem. Res., 31, 1391, 1992; with A. Chialvo.

37) "Solute-Solute Correlations in Infinitely Dilute Supercritical Mixtures." J. Chem. Phys., 97, 504, 1992; with A. Chialvo.

38) "An Automated Verlet Neighbor List Algorithm with a Multiple Time Step Approach for the Simulation of Large Systems." Computer Phys. Commun., 70, 467, 1992; with A. Chialvo.

39) "Formation of Microparticulate Protein Powders Using a Supercritical Anti-Solvent." Biotech. Bioeng., 41, 341, 1993; with S.-D. Yeo, G.-B. Lim, and H. Bernstein.

40) "Rapid Expansion of Supercritical Solutions (RESS): Fundamentals and Applications." Fluid Phase Equil., 82, 311, 1993; with J.W. Tom, X. Kwauk, and S.-D. Yeo.

41) "Application of Supercritical Fluids for the Production of Sustained Delivery Devices." J. Contr. Rel., 24, 27, 1993; with J.W. Tom, S-D. Yeo, and G-B. Lim.

42) "Equilibrium, Stability and Density Anomalies in a Lattice Model with Core-Softening and Directional Bonding." J. Phys. Chem., 97, 6292, 1993; with S.S. Borick.

43) "Mathematical Modelling of Aerosol Formation by Rapid Expansion of Supercritical Solutions in a Converging Nozzle." J. Aerosol Sci., 34, 445, 1993; with X. Kwauk.

44) "Integral Equation Study of Microstructure and Solvation in Model Attractive and Repulsive Supercritical Mixtures." Ind. Eng. Chem. Res., 32, 2118, 1993; with J. Tom.

45) "Supercritical Anti-Solvent (SAS) Process for Substituted Para-Linked Aromatic Polyamides: Phase Equilibrium and Morphology Study." Macromolecules, 26, 6207 1993; with S.-D. Yeo, M. Radosz, and H.-W. Schmidt.

46) "The Entropy of a Network Crystal, Fluid and Glass." Molec. Phys., 81, 237, 1994; with R. Speedy.

47) "Precipitation of Poly(L-lactic acid) and Composite Poly(L-lactic acid) - Pyrene Particles by Rapid Expansion of Supercritical Fluids." J. Supercrit. Fluids, 7, 9, 1994; with J. Tom and R. Jerome.

48) "Thermal Expansion and Stability Limits of Generalized van der Waals Fluids." J. Phys. Chem., 98, 6876 1994; with A. Chakravarthi, S. Sastry, and S.-D. Yeo.

49) "A Computational Study of Metastability in Vapor-Liquid Equilibrium." Chem. Eng. Sci., 49, 2717, 1994; with D.S. Corti.

50) "Secondary Structure Characterization of Microparticulate Insulin Powders." J. Pharm. Sci., 83, 1651, 1994; with S.-D. Yeo, S. Patro, and T.M. Przybycien.

51) "Supercritical Anti-Solvent (SAS) Process for a Series of Substituted Para-Linked Aromatic Polyamides." Macromolecules, 28, 1316, 1995; with S.-D. Yeo, M. Radosz, R. Giesa, and H.-W. Schmidt.

52) "A Lattice Model of Network-Forming Fluids with Orientation-Dependent Bonding: Equilibrium, Stability, and Implications for the Phase Behavior of Supercooled Water." J. Phys. Chem., 99, 3781, 1995; with S. Borick and S. Sastry.

53) "Metastability and Constraints: a Study of the Superheated Lennard-Jones Liquid in the Void-Constrained Ensemble." Ind. & Eng. Chem. Res., 34, 3573, 1995; with D.S. Corti.

54) "Persistence Time for Bonds in a Tetravalent Network Fluid." Molec. Phys., 86, 1375, 1995; with R. Speedy.

55) "Compressibility Effects in the Analysis and Interpretation of Neutron Scattering Data from Polymer Blends." Macromolecules, 29, 764, 1996; with J.K. Taylor, W.W. Graessley, and S.K. Kumar.

56) "Freeze Crystallization of Imipenem." J. Pharm. Sci., 85, 174, 1996; with M. Connolly and H-H. Tung.

57) "Comment on ‘Entropy Catastrophe and Configurational Entropies in Supercooled and Superheated Regimes’, by K. Kishore and H.K. Shobha." J. Chem. Phys., 104, 5349, 1996; with M.M. Atakan and R.J. Speedy.

58) "Precipitation of Proteins in Supercritical Carbon Dioxide." J. Pharm. Sci., 85, 586, 1996; with M.A. Winters, B.L. Knutson, H.G. Sparks, T.M. Przybycien, C.L. Stevenson, and S.J. Prestrelski.

59) "Singularity-Free Interpretation of the Thermodynamics of Supercooled Water." Phys. Rev. E, 53,6144, 1996; with S. Sastry, F. Sciortino, and H.E. Stanley.

60) "The Evaporation Rate, Free Energy, and Entropy of Amorphous Water at 150K." J. Chem. Phys., 105, 240, 1996; with R.J. Speedy, R.S. Smith, C. Huang, and B.D. Kay.

61) "Effects of Compressed Carbon Dioxide on the Phase Equilibrium and Molecular Order of a Lyotropic Polyamide Solution." Macromolecules, 29, 4904, 1996; with M.A. Winters, P.D. Condo, M. Radosz, and H.-W. Schmidt.

62) "Polyamorphism and Density Anomalies in Network-Forming Fluids: Zeroth- and First-Order Approximations." J. Chem. Phys., 105, 658, 1996; with C.J. Roberts.

63) "Molecular Dynamics Simulation of Infinitely Dilute Solutions of Benzene in Supercritical CO2." Fluid Phase Equil., 116, 282, 1996; with H. Inomata and S. Saito.

64) "The Distribution of Tetravalent Network Glasses." Molec. Phys., 88, 1293, 1996; with R.J. Speedy.

65) "Supercritical Fluids as Solvents for Chemical and Materials Processing." Nature, 383, 313, 1996; with C.A. Eckert and B.L. Knutson.

66) "Liquid-Liquid Immiscibility in Pure Fluids: Polyamorphism in Simulations of a Network-Forming Fluid." Phys. Rev. Lett., 77, 4386, 1996; with C.J. Roberts and A.Z. Panagiotopoulos.

67) "Constraints, Metastability, and Inherent Structures in Liquids." Phs. Rev. E, 55, 5522, 1997; with D.S. Corti, S. Sastry, and F.H. Stillinger.

68) "Long-Term and High-Temperature Storage of Supercritically-Processed Microparticulate Protein Powders." Pharm. Res., 14, 1370, 1997; with M.A. Winters, J. Carey, H.G. Sparks, S.U. Sane, and T.M. Przybycien.

69) "Statistical Geometry of Particle Packings: I. Algorithm for Exact Determination of Connectivity, Volume and Surface Areas of Void Space in Mono- and Polydisperse Sphere Packings." Phys. Rev. E, 56, 5524, 1997; with S. Sastry, D.S. Corti, and F.H. Stillinger.

70) "Statistical Geometry of Particle Packings: II. ‘Weak Spots’ in Liquids." Phys. Rev. E, 56, 5533, 1997; with S. Sastry and F.H. Stillinger.

71) "Compressibility Effects in Neutron Scattering by Polymer Blends." Macromolecules, 30, 6943, 1997; with J.K. Taylor-Maranas, W.W. Graessley, and S.K. Kumar.

72) "Reversible Work of Formation of an Embryo of a New Phase Within a Uniform Macroscopic Mother Phase." J. Chem. Phys., 108, 5498, 1998; with H. Reiss.

73) "Statistical Mechanics of Fluids Under Internal Constraints: Rigorous Results for the One-Dimensional Hard Rod Fluid." Phys. Rev. E, 57, 4211, 1998; with D.S. Corti.

74) "Signatures of Distinct Dynamical Regimes in the Energy Landscape of a Glass-Forming Liquid." Nature, 393, 554 1998; with S. Sastry and F.H. Stillinger.

75) "Singularity-Free Interpretation of the Thermodynamics of Supercooled Water. II: Thermal and Volumetric Behavior. " J.Chem.Phys., 109, 626, 1998; with L.P. Rebelo and S. Sastry.

76) "Liquid-Liquid Immiscibility in Single-Component Network-Forming Fluids: Model Calculations, and Implications for Polyamorphism in Water." Ind. & Eng. Chem. Res., 37, 3012, 1998; with C.J. Roberts and G.A. Karayiannakis.

77) "Structural Precursor to Freezing in the Hard-Disk and Hard-Sphere Systems." Phys. Rev. E, 58, 3083, 1998; with T.M. Truskett, S. Torquato, S. Sastry, and F.H. Stillinger.

78) "Resolving Vibrational and Structural Contributions to Isothermal Compressibility." J.Chem.Phys., 109, 3983, 1998; with F.H. Stillinger and S. Sastry.

79) "A Theoretical Study of Gemini Surfactant Phase Behavior." J. Chem. Phys., 109, 5651, 1998; with K.M. Layn and R.K.Prud’homme.

80) "Free Volume in the Hard-Sphere Liquid." Molec. Phys., 95, 289, 1998; with S. Sastry, T.M. Truskett, S. Torquato, and F.H. Stillinger.

81) "Liquid Structure, Thermodynamics, and Mixing Behavior of Saturated Hydrocarbon Polymers. 1. Cohesive Energy Density and Internal Pressure." Macromolecules, 31, 6991, 1998; with J.K.Maranas, M. Mondello, G.S. Grest, S.K. Kumar, and W.W. Graessley.

82) "Liquid Structure, Thermodynamics, and Mixing Behavior of Saturated Hydrocarbon Polymers. 2. Pair Distribution Functions and the Regularity of Mixing." Macromolecules, 31, 6998, 1998; with J.K. Maranas, S.K. Kumar, W.W. Graessley, M. Mondello, and G.S. Grest.

83) "Density Fluctuations in Many-Body Systems." Phys. Rev. E, 58, 7369, 1998; with T.M. Truskett and S. Torquato.

84) "Protein Purification with Vapor-Phase Carbon Dioxide." Biotech. & Bioeng., 62, 247, 1999; with M.A. Winters, D.Z. Frankel, J. Carey, M. Devaney, and T.M. Przybycien.

85) "Distinguishing Vibrational and Structural Equilibration Contributions to Thermal Expansion." J. Phys. Chem. B, 103, 4052, 1999; with F.H. Stillinger.

86) "The Statistical Geometry of Voids in Liquids." Fluid Phase Equil., 158-160, 549, 1999; with T.M. Truskett.

87) "A Single-Bond Approach to Orientation-Dependent Interactions and its Implications for Liquid Water." J. Chem. Phys., 111, 2647, 1999; with T.M. Truskett, S. Sastry, and S. Torquato.

88) "A Computational Study of Homogeneous Liquid-Vapor Nucleation in the Lennard-Jones Fluid." J. Chem. Phys., 111, 3581, 1999; with V.K. Shen.

89) " Reply to the Comment on: Reversible Work of Formation of an Embryo of a New Phase Within a Uniform Macroscopic Mother Phase [J.Chem.Phys. 108, 5498 (1998)]." J. Chem. Phys., 111, 3781, 1999; with H. Reiss.

90) "Structure and Dynamics in Concentrated, Amorphous Carbohydrate-Water Systems by Molecular Dynamics Simulation." J. Phys. Chem. B, 103, 7308, 1999; with C.J. Roberts.

91) "The Equation of State of an Energy Landscape." J. Phys. Chem. B, 103, 7390, 1999; with F.H. Stillinger, T.M. Truskett, and C.J. Roberts.

92) "Numerical Modeling of Mass Transfer in the Supercritical Antisolvent Process." J. Supercrit. Fluids, 16, 167, 1999; with J. Werling.

93) "Equation of State of the Energy Landscape of SPC/E Water." J. Phys. Chem. B, 103, 10258, 1999; with C.J. Roberts and F.H. Stillinger.

94) "Potential Energy Landscape Signatures of Slow Dynamics in Glass Forming Liquids." Physica A, 270, 310, 1999; with S. Sastry, F.H. Stillinger, T.B. Schroder, J.C. Dyre, and S.C. Glotzer.

95) "Atomistic Simulation of Ageing and Rejuvenation in Glasses." Phys. Rev. Lett., 84, 1471, 2000; with M. Utz and F.H. Stillinger.

96) "Is Random Close Packing of Spheres Well Defined?" Phys. Rev. Lett., 84, 2064, 2000; with S. Torquato and T.M. Truskett.

97) "Towards a Quantification of Disorder in Materials:  Distinguishing Equilibrium and Glassy Sphere Packings." Phys. Rev. E, 62, 993, 2000; with T.M. Truskett and S. Torquato.

98) "Statistical Geometry of Cavities in a Confined Metastable Fluid" Phys. Rev. E, 62, 538, 2000; with A. Vishnyakov and A.V. Neimark.

99) "Numerical Modeling of Mass Transfer in the Supercritical Antisolvent Process:  Miscible Conditions." J. Supercrit. Fluids, in press, 2000; with J. Werling.

100) "Triangle Distribution and Equation of State for Classical Rigid Disks." J. Stat. Phys., 100, 49, 2000; with D.K. Stillinger, F.H. Stillinger, S. Torquato, and T.M. Truskett.
 

Chapters in Books

1) "Mathematical Modeling of Cross-Flow Solid State Electrochemical Reactors." ACS Symp. Ser. 237, Ch.10, 1984; with C. Vayenas, I. Yentekakis, and L. Hegedus.

2) "Binary Diffusion in Supercritical Fluids." Proc. Symp. on Supercritical Technology, San Francisco, Nov. 1984, J . Penninger, ed., Elsevier Science Publishers, Amsterdam, 1985; with R. C . Reid.

3) "Solids Formation Following the Expansion of Supercritical Mixtures." Supercritical Science and Technology, K.P.Johnston and J.M.L. Penninger, eds., ACS Symp. Ser. No. 406, ch.23, 1989; with R.S.Mohamed, D.S. Halverson, and R.K. Prud'homme.

4) "Fluctuation Theory of Supercritical Solutions." In Supercritical Fluid Technology, Reviews in Modern Theory and Applications, J. F. Ely and T. J. Bruno, eds., CRC Press, ch. 4, 1991; with L. L. Lee and H. D. Cochran.

5) "Local Density Augmentation in Supercritical Solutions: a Comparison Between Fluorescence Spectroscopy and Molecular Dynamics Results." In Supercritical Fluid Technology. Theoretical and Applied Approaches in Analytical Chemistry, F.Bright and M.E.P. McNally, eds. ACS Symp. Ser. No. 488, Ch. 5, 1992; with B.L. Knutson, and D.L. Tomasko, C.A. Eckert, and A.A. Chialvo.

6) "Applications of Supercritical Fluids in Controlled Release of Drugs." In Supercritical Engineering Science: Fundamentals and Applications, E. Kiran and J.F. Brennecke, eds. ACS Symp. Ser. No. 514, Ch. 19, 1993; with J.W. Tom, G-B. Lim, and R.K. Prud'homme.

7) "Supercritical Fluids as Particle Formation Media." In Supercritical Fluids - Fundamentals for Application, E. Kiran and J.M.H. Levelt Sengers, eds., NATO ASI, Ser. E, 273, 719, 1994.

8) "Solute-Solute Interactions: Theory and Simulation." In Supercritical Fluids - Fundamentals for Application, E. Kiran and J.M.H. Levelt Sengers, eds., NATO ASI, Ser. E, 273, 439, 1994.

9) "Preparation of Microparticulates Using Supercritical Fluids." In Microparticulate Systems for the Delivery of Proteins and Vaccines, S. Cohen and H. Bernstein, eds. Marcel Dekker, Inc., New York. Ch. 3, 1996; with B.L. Knutson and J.W. Tom.

10) "Phase Separation by Nucleation and Spinodal Decomposition: Fundamentals" In Supercritical Fluids - Fundamentals and Applications, E. Kiran, P. G. Debenedetti, and C. J. Peters, eds., NATO Science Series, E, 366, 123, 2000.
 

Book Reviews

1) "Supercritical Fluid Extraction. Principles and Practice", by M. McHugh and V. Krukonis, Butterworths, Boston, 1986. AIChEJ., 33,1406, 1987.

2) "Molecular Dynamics Simulation. Elementary Methods", by J.M. Haile, Wiley, New York, 1992. AIChEJ, 39, 1097, 1993.

3) "Statistical Mechanics of Phase Transitions", by J.M. Yeomans, Oxford University Press, 1992. J. Amer. Chem. Soc., 115, 12230, 1993.

4) "Innovations in Supercritical Fluids: Science and Technology", edited by K.W. Hutchenson and N.R. Foster, ACS Symp. Ser. 608, American Chemical Society, Washington, DC, 1995. AIChEJ., 42, 2698, 1996.

5) "Chemical Thermodynamics: Basic Theory and Methods", 5th ed., by I.M. Klotz and M. Rosenberg, 1994. Chem. Eng. Educ., 30, 69, 1996.
 

Miscellaneous

1)  "One Substance, Two Liquids?", invited News and Views article, Nature, 392, 127, 1998.
 

Patents

"Formation of Protein Microparticles by Anti-Solvent Precipitation", Australian Patent 668367, August 20, 1996

"Formation of Protein Microparticles by Anti-Solvent Precipitation", European Patent EP 0542314 B1, October 29, 1998

"Preparation of Protein Microparticles by Supercritical Fluid Precipitation", US Patent 6063910, May 16, 2000