PUBLICATIONS Selected PDF files available.


F.R. Siperstein and A.D. Mackie "Phase behaviour of a model surfactant-solvent system at intermediate and high densities" Colloids and Surfaces A: Physicochemical and Engineering Aspects in press.
 
 
A. Patti, A.D. Mackie and F.R. Siperstein "Molecular simulation study on the structure of templated porous materials obtained from different inorganic precursors" Studies in Surface Science and Catalysis in press.
 
 
V. Fierro, G. Bosch and F.R. Siperstein "PSD obtained form molecular modelling and DFT in microporous carbons" Studies in Surface Science and Catalysis in press.
 
 
F.R. Hung, B. Coasne, K.E. Gubbins, F.R. Siperstein and M. Sliwinska-Bartkowiak "A Monte Carlo study of cpaillary condensation of krypton within realistic models of templated mesoporous silica materials" Studies in Surface Science and Catalysis in press.
 
 
B. Coasne, F.R. Hung, F.R. Siperstein and K.E. Gubbins "Molecular simulatio of gas adsorption in realistic models of silica nanopores" Annales de Chimie in press.
 
 
F.R. Siperstein "Determination of Azeotropic behavior in Adsorbed Mixtures" Adsorption in press
 
 
F.R. Hung, E. Santiso, B. Coasne, K.E. Gubbins, F.R. Siperstein and M. Sliwinska-Bartkowiak "Effect of confinement on freezing in cylindrical pores" Adsorption in press
 
 
F.R. Hung, B. Coasne, K. Santiso, K.E. Gubbins, F.R. Siperstein and M. Sliwinska-Bartkowiak "Molecular modeling of freezing of simple fluids confined within carbon nanotubes" J. Chem. Phys. 2005, 122, 144706.
 
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N. Chennamsetty, H. Bock, L.F. Scanu, F.R. Siperstein, and K.E. Gubbins "Cosurfactant and cosolvent effects on surfactant self-assembly in supercritical carbon dioxide" J. Chem. Phys. 2005, 122, 094710.
 
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M. Lisal, J.K. Brennan, W.B. Smith and F.R. Siperstein "Dual control cell reaction ensemble moleclar dynamics: A method for ismulations of reactions and adsorption in porous materials" J. Chem. Phys. 2004, 121, 4901-4912.
 
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F.R. Siperstein, K.E. Gubbins "Phase separation and liquid crystal self-assembly in surfactant-inorganic-solvent systems" Langmuir 2003, 19, 2049-2057.
 
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C.M. Colina, C.G. Olivera-Fuentes F.R. Siperstein, M. Lisal, and K.E. Gubbins "Properties of Supercritical Carbon Dioxide by Monte Carlo Simulations" Mol. Sim. , 2003 accepted .
 
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F.R. Siperstein and K.E. Gubbins "Influence of syntehsis conditions on surface heterogeneity of M41 type materials studied with lattice Monte Carlo" Stud. Surf. Sci. Catal. 2002,144, 647-654.
 
 
C.M. Colina, M. Lisal, F.R. Siperstein and K.E. Gubbins "Accurate CO2 Joule_Thomson Inversion Curve by Molecular Simulation" Fluid Phase Equilibria, 2002 202, 253-262.
 
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F. Siperstein, A.L. Myers and O. Talu "Long-range corrections for computer simulations of adsorption", Mol. Phys. 2002, 100, 2025-2030.
 
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F. Siperstein and K.E. Gubbins "Synthesis of templated materials" Mol. Simulation 2001, 27, 339-352.
 
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F. Siperstein, A.L. Myers and O. Talu "Gas storage: Absolute adsorption versus excess adsorption", Proceedings of Fundamentals of Adsorption 7, Nagasaki, Japan, Edited by K. Kaneko, H. Kanoh, and Y. Hanzawa, 2001, 311-318.
 
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F. Siperstein and K.E. Gubbins "Mimetic Synthesis of Templated Mesoporous Materials using Molecular Simulation" Proceedings of Fundamentals of Adsorption 7, Nagasaki, Japan, Edited by K. Kaneko, H. Kanoh, and Y. Hanzawa, 2001, 434-440.
 
 
A.L. Myers and F. Siperstein "Characterization of adsorbents by energy profile of adsorbed molecules", Colloids and Surfaces A, 2001, 187-188 , 73-81. 
 
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F. Siperstein, F.; Myers, A.L. "Mixed-Gas Adsorption" AIChE J.2001, 47, 1141-1159.
 
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D. Shen, M. Bulow, F. Siperstein, M. Engelhard and A.L. Myers "Comparison of Experimental Techniques for Measuring Isosteric Heat of Adsorption" Adsorption, 2000, 6, 275-286.
 
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D. Shen, M. Bulow, F. Siperstein, M. Engelhard and A.L. Myers "Comparison of Sorption Heats from Isosteric and Calorimetric Experiments fro Nitrogen, Oxygen and Caorbon Dioxide on Zeolites of types LTA and FAU" Proceedings of the Second Pacific Basin Conference on Adsorption Science and Technology, Brisbane, Australia 2000, 106-110.
 
 
F. Siperstein, R.J. Gorte and A.L. Myers "A New Calorimeter for Simultaneous Measurements of Loading and Heats of Adsorption from Gaseous Mixtures" Langmuir1999, 15, 1570-1576.
 
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F. Siperstein, R.J. Gorte and A.L. Myers "Measurement of Excess Functions of Binary Gas Mixtures Adsorbed in Zeolites by Adsorption Calorimetry" Adsorption1999, 5(2), 169-176.
 
 
S. Savitz, F. Siperstein, R. Huber, S.M. Tieri, R.J. Gorte, A.L. Myers, C.P. Grey and D.R. Corbin, "Adsorption of hydrofulorocarbons HFC-134 and HFC-134a on X and Y zeolites: Effect of ion-exchange on selectivity and heat of adsorption" J. Phys. Chem. B 1999, 103(39);8283-8289.
 
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S. Savitz, F. Siperstein, R.J. Gorte and A.L. Myers "Calorimetric Study of Adsorption of Alkanes in High-Silica Zeolites" J. Phys. Chem. B.1998, 102(35),6865-6872.
 
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F. Siperstein and A.L. Myers "Effect of Temperature on Adsorption Equilibria of Gas Mixtures" Proceedings of Sixth International Conference on Fundamentals of Adsorption, Meunier, F. Editor. Elsevier, Paris, Fr. 1998, 57-62.
 
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F. Siperstein, S. Savitz, R.J. Gorte and A.L. Myers "Microcalorimetric Characterization of Zeolites Using Polar and Nonpolar Probe Molecules" Proceedings of Sixth International Conference on Fundamentals of Adsorption, Meunier, F. Editor. Elsevier, Paris, Fr. 1998, 111-116.
 
 
F. Siperstein, R.J. Gorte and A.L. Myers "Experimental studies of adsorption of mixtures in zeolites using microcalorimetry" Proceedings of the 12th International Zeolite Conference, Edited by M.M.J. Treacy, B.K. Marcus, M.E. Bisher & J.B. Higgins, Materials Research Society 1998,102-109.
 
 




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