Single-atom catalysis in space: Computational exploration of Fischer–Tropsch reactions in astrophysical environments

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Volume 680 (December 2023)

A&A, 680 (2023) A57

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Table F.6

Kinetic data for the TS_F−G on Fe²⁺ @SiO2

T (K)	k(T) (s⁻¹ )	k(T) (y⁻¹ )	1/T (K⁻¹)	ln[k(T)] (s⁻¹ )	ln[k(T)] (y⁻¹ )
50	7.49E−85	2.36E−77	2.00E−02	−193.71	−176.44
100	2.91E−36	9.19E−29	1.00E−02	−81.82	−64.56
150	5.13E−20	1.62E−12	6.67E−03	−44.42	−27.15
200	6.78E−12	2.14E−04	5.00E−03	−25.72	−8.45
250	5.07E−07	1.60E+01	4.00E−03	−14.50	2.77
300	8.95E−04	2.82E+04	3.33E−03	−7.02	10.25
350	1.85E−01	5.82E+06	2.86E−03	−1.69	15.58
400	9.92E+00	3.13E+08	2.50E−03	2.29	19.56
450	2.17E+02	6.85E+09	2.22E−03	5.38	22.65
500	2.54E+03	8.01E+10	2.00E−03	7.84	25.11
550	1.88E+04	5.94E+11	1.82E−03	9.84	27.11
600	9.92E+04	3.13E+12	1.67E−03	11.51	28.77
650	4.03E+05	1.27E+13	1.54E−03	12.91	30.17
700	1.33E+06	4.20E+13	1.43E−03	14.10	31.37
750	3.74E+06	1.18E+14	1.33E−03	15.13	32.40
800	9.21E+06	2.90E+14	1.25E−03	16.04	33.30
850	2.03E+07	6.41E+14	1.18E−03	16.83	34.09
900	4.11E+07	1.30E+15	1.11E−03	17.53	34.80
950	7.69E+07	2.42E+15	1.05E−03	18.16	35.42
1000	1.35E+08	4.26E+15	1.00E−03	18.72	35.99

Notes. The columns give the rate constants (k(T)) in seconds (s⁻¹ ) and years (y⁻¹ ) for each 50 kelvin (K) and considering tunnelling (k(T)_Tun). Also shown is the inverse of the temperature (1/T) in K⁻¹ and the natural logarithm for each k(T) (ln[k(T)])).

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