Molecular Dynamics Simulation of Pervaporation of an Ethanol–Water Mixture on a Hybrid Silicon Oxide Membrane
- Authors: Klinov A.V.1, Anashkin I.P.1, Akberov R.R.1
-
Affiliations:
- Kazan National Research Technological University
- Issue: Vol 56, No 1 (2018)
- Pages: 70-76
- Section: Heat and Mass Transfer and Physical Gasdynamics
- URL: https://journals.rcsi.science/0018-151X/article/view/157457
- DOI: https://doi.org/10.1134/S0018151X18010091
- ID: 157457
Cite item
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.
About the authors
A. V. Klinov
Kazan National Research Technological University
Author for correspondence.
Email: alklin@kstu.ru
Russian Federation, Kazan, 420015
I. P. Anashkin
Kazan National Research Technological University
Email: alklin@kstu.ru
Russian Federation, Kazan, 420015
R. R. Akberov
Kazan National Research Technological University
Email: alklin@kstu.ru
Russian Federation, Kazan, 420015
Supplementary files
