Statistical mechanics and molecular simulation of adsorption in microporous materials: pillared clays and carbon molecular sieve membranes

Article Abstract:

A new study uses equilibrium molecular dynamics to study the adsorption equilibria of several gases and their binary mixtures in pillared clays and carbon molecular sieve membranes at room temperature.

Porous materials

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Surface area and microporosity of a Pillared Interlayered Clay (PILC) from a hybrid density functional theory (DFT) method

Article Abstract:

A hybrid density functional theory is used to calculate model isotherms over a wide range of pore widths for the adsorption of nitrogen at 77K within cylindrical pores having a clay-like surface. By using this models and comparing the results of traditional data treatments, the integral equation of adsorption is inverted by a regularization method to yield the micropore and mesopore size distribution of pillared interlayered clay (PLC).

All Other Basic Inorganic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Nitrogen Compounds, Usage, Density functionals, Density functional theory, Chemical properties

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Adsorption of cytochrome C on new mesoporous carbon molecular sieves

Article Abstract:

Mesoporous carbons with tunable pore diameters from 3 to 6.5 nm are prepared by using SBA-15 silica with various pore diameters as template. The novel materials are studied in the adsorption of horse heart cytochrome c from solutions with different pH.

All Other Basic Organic Chemical Manufacturing, Industrial organic chemicals, not elsewhere classified, Molecular Sieves, Cytochrome c

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