Molecular simulations

Article Abstract:

The adsorption properties of linear alkanes in zeolite ferrierite was investigated using configurational-bias Monte Carlo simulations. Results showed that only short alkanes can access the entire two-dimensional pore structure of ferrierite and that only long alkanes adsorbed only in the 10-ring channels. The adsorption of n-pentane in the ferrierite 8-ring cage is possible only at relatively high pressures.

Usage, Zeolites, Alkanes, Adsorption, Monte Carlo method, Monte Carlo methods

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Phase behavior of model lipid bilayers

Article Abstract:

The phase behavior of double-tail lipids, as a function of temperature, headgroup interaction and tail length is investigated. The results reveal that the anomalous swelling, observed at the P(sub beta')-->L(sub alpha) transition, is not directly related to the rippled phase, but a consequence of conformational changes of the tails.

Science & research, Chemistry, Physical and theoretical, Physical chemistry, Lipid membranes

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