Characterization of Composition-Dependent Maxwell–Stefan Diffusivities in Mixtures of Polydimethylsiloxane, Nerve Agent VX, and Methanol
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DOI: 10.1021/acs.iecr.7b00159
Abstract: The composition-dependent self- and Maxwell–Stefan (MS) diffusivities of binary and ternary mixtures consisting of polydimethylsiloxane (PDMS), nerve agent O-ethyl S-[2(diisopropylamino) ethyl] methylphosphonothioate (VX), and methanol are investigated using equilibrium molecular dynamics (MD) simulations. The intention… read more here.
Keywords: composition dependent; stefan diffusivities; maxwell stefan; nerve agent ... See more keywords