Search Results - "Siperstein, F. R."

Application of Density Functional Theory for Determining Pore-Size Distributions of Microporous Activated Carbons by S. Figueroa-Gerstenmaier, F. R. Siperstein, A. Celzard, V. Fierro

“…We determined the pore-size distributions (PSDs) of 12 activated carbons (ACs) using a combination of density functional theory method from Kierlik and…”
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Thermal Properties of Supercritical Carbon Dioxide by Monte Carlo Simulations by Colina, C.M., Olivera-Fuentes, C.G., Siperstein, F.R., Lísal, M., Gubbins, K.E.

“…We present simulation results for the volume expansivity, isothermal compressibility, isobaric heat capacity, Joule-Thomson coefficient and speed of sound for…”
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Phase Behavior of Model Surfactants in the Presence of Hybrid Particles by Patti, A., Siperstein, F. R., Mackie, A. D.

“…Lattice Monte Carlo simulations have been performed to study the equilibrium phase behavior of model amphiphilic solutions in the presence of hybrid…”
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CaSPA – an algorithm for calculation of the size of percolating aggregates by Magee, James E., Dutton, Helen, Siperstein, Flor R.

“…We present an algorithm (CaSPA) which accounts for the effects of periodic boundary conditions in the calculation of size of percolating aggregated clusters…”
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Adsorption of Simple Gases in MCM-41 Materials:  The Role of Surface Roughness by Coasne, Benoit, Hung, Francisco R, Pellenq, Roland J.-M, Siperstein, Flor R, Gubbins, Keith E

“…This paper reports the development and testing of atomistic models of silica MCM-41 pores. Model A is a regular cylindrical pore having a constant section…”
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Phase Separation and Liquid Crystal Self-Assembly in Surfactant−Inorganic−Solvent Systems by Siperstein, Flor R, Gubbins, Keith E

“…The behavior of surfactant−inorganic oxide−solvent systems is studied using lattice Monte Carlo simulations. Under no inorganic condensation conditions, these…”
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Mixed-gas adsorption by Siperstein, Flor R., Myers, Alan L.

“…The prediction of multicomponent adsorption equilibria from single‐component data is one of the most challenging and important problems in adsorption. The…”
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Determination of Azeotropic Behavior in Adsorbed Mixtures by Siperstein, Flor R.

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Phase behavior of a model surfactant–solvent system at intermediate and high densities by Siperstein, Flor R., Mackie, Allan D.

“…The phase behavior of a binary mixture containing a model surfactant and solvent was determined from lattice Monte Carlo simulations in the grand canonical…”
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Synthesis and Characterization of Templated Mesoporous Materials Using Molecular Simulation by Siperstein, Flor R., Gubbins, Keith E.

“…Lattice Monte Carlo simulations are used to calculate equilibrium properties of surfactant-solvent-silica liquid-crystal systems under no-polymerization…”
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Accurate CO2 Joule-Thomson inversion curve by molecular simulations by COLINA, Coray M, LISAL, Martin, SIPERSTEIN, Flor R, GUBBINS, Keith E

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Effect of Confinement on Freezing of CCl4 in Cylindrical Pores by Sliwinska-Bartkowiak, Malgorzata, Hung, Francisco R., Santiso, Erik E., Coasne, Benoit, Dudziak, Grazyna, Siperstein, Flor R., Gubbins, Keith E.

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Adsorption of Hydrofluorocarbons HFC-134 and HFC-134A on X and Y Zeolites:  Effect of Ion-Exchange on Selectivity and Heat of Adsorption by Savitz, Scott, Siperstein, Flor R, Huber, Robert, Tieri, Stephen M, Gorte, Raymond J, Myers, Alan L, Grey, Clare P, Corbin, David R

“…Adsorption isotherms and heats of adsorption were measured for HFC-134 (1,1,2,2-tetrafluoroethane) and HFC-134a (1,1,1,2-tetrafluoroethane) on a series of…”
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Molecular simulation of gas adsorption in realistic models of silica nanopores by Coasne, Benoit, Hung, Francisco R., Siperstein, Flor R., Gubbins, Keith E.

“…This paper presents a molecular simulation study of Xe adsorption at 195 K in two atomistic models of silica MCM-41 pores. Model A consists of a regular…”
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