0000000000369066
AUTHOR
S. Lectez
Adsorption of hydrogen isotopes in the zeolite NaX: Experiments and simulations
Abstract Among the different methods to separate hydrogen isotopes one is based on the physisorption at low temperature (below 100 K) where quantum effects induce a particular behavior. In the present work, we study the adsorption of single H 2 and D 2 on the zeolite NaX by combining experiments (manometry) from 30 to 150 K and molecular dynamics simulations at 40 and 77 K. Simulations also include the adsorption analysis for T 2 . Adsorption on NaX membranes is simulated and quantum corrections are introduced by using the well-known Feynman–Hibbs approach into the interaction potentials. Experimental adsorption isotherms are reproduced by using the Toth equation and it is shown that the ad…
A similar to 32-70 K FORMATION TEMPERATURE RANGE FOR THE ICE GRAINS AGGLOMERATED BY COMET 67 P/CHURYUMOV-GERASIMENKO
Grand Canonical Monte Carlo simulations are used to reproduce the N$_2$/CO ratio ranging between 1.7 $\times$ 10$^{-3}$ and 1.6 $\times$ 10$^{-2}$ observed {\it in situ} in the Jupiter family comet 67P/Churyumov-Gerasimenko by the ROSINA mass spectrometer aboard the Rosetta spacecraft, assuming that this body has been agglomerated from clathrates in the protosolar nebula. Simulations are done using an elaborated interatomic potentials for investigating the temperature dependence of the trapping within a multiple guest clathrate formed from a gas mixture of CO and N$_2$ in proportions corresponding to those expected for the protosolar nebula. By assuming that 67P/Churyumov-Gerasimenko agglom…