Table 7. Computed Chemical Potentials of Water in Water–Hydrogen Mixtures Where the Mole Fraction of Hydrogen (x_H2) Is Close to Saturation^a.

T (K)	P (bar)	NH2	NH2O	xH2	(μ – μ0) (kJ/mol)
268	875	0	730	0	–33.2(2)
268	875	1	730	0.001	–33.3(2)
268	875	3	730	0.004	–33.3(2)
268	875	5	730	0.007	–33.3(2)
268	875	10	730	0.014	–33.1(2)
273	300	0	730	0	–34.1(2)
273	300	1	730	0.001	–34.1(2)
273	300	3	730	0.004	–34.1(2)
273	300	5	730	0.007	–34.1(2)
273	300	10	730	0.014	–34.1(2)
273	500	0	730	0	–33.8(2)
273	500	1	730	0.001	–33.7(2)
273	500	3	730	0.004	–33.7(2)
273	500	5	730	0.007	–33.7(2)
273	500	10	730	0.014	–33.7(3)
273	875	0	730	0	–33.1(2)
273	875	1	730	0.001	–33.1(2)
273	875	3	730	0.004	–33.1(3)
273	875	5	730	0.007	–33.2(2)
273	875	10	730	0.014	–33.1(3)
273	1000	0	730	0	–32.9(2)
273	1000	1	730	0.001	–32.9(2)
273	1000	3	730	0.004	–32.8(3)
273	1000	5	730	0.007	–32.9(2)
273	1000	10	730	0.014	–32.8(3)

^aThe mixture is defined using the TIP3P¹⁰⁰ and Marx⁹⁹ force fields.³⁸N_i is the number of molecules of component i. Numbers in brackets indicate uncertainties in the last digit (95% confidence interval).