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Isotope fractionation by diffusion in silicate melts: Insights from molecular dynamics simulations

โœ Scribed by Gaurav Goel; Liqun Zhang; Daniel J. Lacks; James A. Van Orman

Book ID
116504799
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
505 KB
Volume
93
Category
Article
ISSN
0016-7037

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The Maxwell-Stefan (M-S) diffusivities -D i of a variety of gases (He, Ne, Ar, Kr, H 2 , N 2 , CO 2 , CH 4 ) in six different all-silica zeolite structures (MFI, AFI, FAU, CHA, DDR, and LTA) have been determined using molecular dynamics (MD) simulations for a range of molar loadings, q i . In all ca