Table 1 Predicted set of thermodynamically favored reaction products in Ti2SiC + O2 at reaction temperature of 1500 K.

From: High-throughput reaction engineering to assess the oxidation stability of MAX phases

Stages

Mole oxygen

Reaction products and phases-fractions [Ti2SiC + O2]

1500 K

Phase

Phase-fraction

I.

1

SiO2 + Ti2O3 + Ti3SiC2 + TiSi

(0.25, 0.125 0.437, 0.188)

(0.44, 0.22, 0.22, 0.11)

II.

2

SiO2 + Ti2O3 + Ti3SiC2 + Ti4SiC3

(0.44, 0.22, 0.22, 0.11)

3

SiO2 + Ti2O3 + TiC + Ti4SiC3

(0.429, 0.214, 0.285, 0.07)

III.

4

C + SiO2 + Ti2O3  + TiC

(0.125, 0.37, 0.245, 0.25)

4.75

(0.295, 0.340, 0.318, 0.045)

IV.

6.3

C + CO2 + SiO2 + TiO2

(0.213, 0.038, 0.25, 0.50)

7

(0.125, 0.125, 0.25, 0.50)

7.75

(0.025, 0.225, 0.25, 0.50)

V.

9

SiO2 + CO2 + O2 + TiO2

(0.20, 0.20, 0.20, 0.0.40)

11

(0.143, 0.143, 0.429, 0.286)

  1. The GCLP minimizes SISSO predicted grand-canonical ΔGform (see Supplementary Tables 2, 3, and 6) to estimate possible phase-fractions.
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