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Table T1. Experimentally determined absolute occupancies and hydration numbers, Sample 311-U1328E-2X-Hyd17 (Sample H2).

CH4
(mol%)		 Methane Hydrogen sulfide Hydration
number
Exp. θL/θS θL θS Exp. θL/θS θL θS
Raman
97.53 1.14 0.954 0.839 0.50 0.019 0.038 6.06
97.69 1.19 0.958 0.806 0.47 0.017 0.036 6.10
97.83 1.15 0.957 0.833 0.48 0.016 0.034 6.07
97.84 1.17 0.958 0.818 0.52 0.017 0.032 6.10
98.01 1.13 0.958 0.848 0.47 0.015 0.031 6.06
98.06 1.15 0.959 0.833 0.52 0.015 0.029 6.08
CSMGem
97.53   0.945 0.837   0.017 0.043 6.11
97.69   0.946 0.839   0.016 0.040 6.11
97.83   0.948 0.843   0.015 0.038 6.10
97.84   0.948 0.843   0.015 0.038 6.10
98.01   0.949 0.846   0.013 0.035 6.10
98.06   0.949 0.847   0.013 0.034 6.10

Note: CSMGem calculations are from in situ conditions.

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