Table 3 Predicted set of thermodynamically favored reaction products in Cr2AlC + O2 at reaction temperature of 1200 K.

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

Stages

Mole-oxygen

Reaction products and phases-fractions [Ti2AlC + O2]

1200 K

Phase

Phase-fraction

I.

0.6

Cr2AlC + Cr7C3 + Cr + Al4CO4

(0.47, 0.18, 0.18, 0.18)

1

Cr2AlC + Cr7C3 + Cr + Al4CO4

(0.00, 0.33, 0.33, 0.33)

II.

1.75

Cr7C3 + Al2O3 + Cr2O3 + Cr3C2

(0.13, 0.49, 0.29, 0.08)

III.

2.75

Al2O3 + Cr2O3 + Cr3C2 + C

(0.32, 0.27, 0.25, 0.15)

4

(0.23, 0.38, 0.05, 0.35)

IV.

4.75

Al2O3 + Cr2O3 + C + CO2

(0.20, 0.40, 0.35, 0.05)

6.3

(0.20, 0.40, 0.04, 0.36)

V.

7

Al2O3 + Cr2O3 + CO2 + O

(0.17, 0.33, 0.33, 0.17)

9

(0.09, 0.20, 0.50, 0.19)

I.

11

(0.07, 0.14, 0.64, 0.14)

  1. The GCLP minimizes SISSO predicted ∆Gform (see Supplementary Table 8) to estimate possible phase-fractions.
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