Abstract
A molecular-statistical method for simulating the process of pervaporation on hybrid silicon oxide membranes is proposed. This method is a development of the control volume method. Models of three membrane samples with different densities and pore sizes were obtained. These samples were used for the molecular-dynamics simulation of pervaporation of a 95 mol % aqueous solution of ethanol at a temperature of 343 K. It is shown that the membrane is selective with respect to water; the component flow is found to exponentially depend on the pore size.
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