Project abstract for group tsapatsi

Estimation of Diffusion Coefficients for Ethanol-Water Mixture in MFI Zeolite

There is no literature data for diffusion coefficients for water ethanol separation through a MFI zeolite membrane. Thus, these researchers are calculating these coefficients using molecular dynamics simulations in Gromacs software. The coefficients need to be calculated for various mole fractions and fractional loading.

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