Adsorption equilibria of C1 to C4 alkanes, CO2, and SF6 on silicalite

Article Abstract:

The adsorption equilibria of methane, propane, ethane, n-butane, carbon dioxide, isobutane and sulfur hexafluoride were investigated gravimetrically on silicalite crystals at temperature ranges of 3 to 81 degrees Celsius and at pressures of as high as 2000 kPa. A virial equation was formulated to correlate the experimental results and to calculate the isosteric heats of adsorption and the limiting heats of adsorption at zero loading. The adsorption isotherms of isobutane show inflection points at loadings of 4-6 molecules/unit cell in a certain temperature range.

Carbon dioxide, Thermal properties, Chemical equilibrium, Zeolites, Alkanes, Adsorption, Sulfur hexafluoride

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Effect of surface resistances on the diffusion of binary mixtures in the silicalite single crystal membrane

Article Abstract:

The diffusion of methane and argon mixtures through the silicalite single-crystal membrane is studied using the dual-control volume-grand canonical molecular dynamics method to understand how surface resistances alter selectivity and permeance. The effect of permeant-crystal interaction size on surface resistance is significantly larger than the effect on intracrystalline resistance, and small differences in size cause significant changes in diffusion through the interface.

Industrial Gas Manufacturing, Industrial gases, Argon, Methane, Chemical properties

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Surface resistance to permeation through the silicalite single crystal membrane: variation with permeant

Article Abstract:

The Dual Control Volume-Grand Canonical Molecular Dynamics (DCV-GCMD) method is used to analyze the variation of surface resistances to diffusion of molecules through the silicalite single-crystal membranes as a function of permeants. The surface resistance varies drastically with variations in the parameters even though different sets of parameters yield similar equilibrium concentration values in adsorption studies.

Science & research, Crystal structure, Molecular dynamics, Surface chemistry

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