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Ellingham Diagrams

Stanley M. Howard, SD School of Mines and Technology

Standard Gibb's Energies of Formation for


Bromides
Chlorides
Fluorides
Hydrides
Iodides
Nitrides
Oxides
Sulfides
Selenides
Tellurides
The figures include nomographs for equilibrium partial pressures.
Data sources:
1) Thomas B. Reed, Free Energy of Formation of Binary Compounds,
MIT Press, Cambridge, MA, 1971.
2) D. R. Stull and H. Prophet, JANAF Thermochemical Tables,
NSRDS-NBS 37, U.S. Dept of Commerce, National Bureau of Standards, 1971
This is an Internet Resource for MET 320 - Metallurgical Thermodynamics.

Disclaimer: These diagrams are provided for educational purposes only and should not be
relied on for design or analysis. There may be errors in some data. The user assumes all
liability associated with the use of the diagrams.

pCO/pCO2
pH2/pH2O

10-40
10-40

10-30
10-30

10-20 10-18 10-16


10-20 10-18 10-16

10-14

10-14

10-12

10-12

10-10 10-9
10-10

10-9

10-8

10-7

10-8

10-7

10-6

10-5

10-6

10-4

10-5

10-3
10-4

10-2

pO2

10-3

100

10

-2

10-1

-20
10-2
M

10-1

100

-40
10-4

100

101

-60
10-6
101

102

-80

10-8
102

-100
H

-120

103

103

10-10

DGo, Kcal/gfw

104

CX

-140

104

10-12
105

mM

-160
105

10-14
106

-180
106

10-16
107

-200
107

-220

10-18
108

108
10-20
109

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

109
10-22
1010

1010

-280

10-24
1011

-300

1011

200
pH2/pH2O
pCO/pCO2
pO2

400

600

800

1000

1200

1400

1600

1800

2000

2200

1014

1013

1015

1014

2400

T, K
1060

1050

1040

1030 1028 1026

1060

1050

1040

1030 1028

10-200

10-150

10-100 10-90

10-80

1024

1026

1024

10-70

Ellingham Diagram for User-Selected Oxides

1022
1022
10-60

1020

1019
1020

1018
1019

10-50

1017
1018
10-45

1016

1015

1017

1016
10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-35

1012
1013
10-30

10-28

10-26
1012

pCO/pCO2
pH2/pH2O

10-40
10-40

10-30
10-30

10-20 10-18 10-16


10-20 10-18 10-16

10-14

10-14

10-12

10-12

10-10 10-9
10-10

10-9

10-8

10-7

10-8

10-7

10-6

10-5

10-6

10-4

10-5

10-3
10-4

10-2

pO2

10-3

100

10

-2

10-1

-20
10-2
10-1

100

-40
10-4
100

101

-60
10-6
101

102

-80

10-8
102

-100
H

-120

103

103

10-10

DGo, Kcal/gfw

104

CX

-140

104

10-12
105

mM

-160
105

10-14
106

-180
106

10-16
107

-200
107

-220

10-18
108

108
10-20
109

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

109
10-22
1010

1010

-280

10-24
1011

-300

1011

200
pH2/pH2O
pCO/pCO2
pO2

400

600

800

1000

1200

1400

1600

1800

2000

2200

1014

1013

1015

1014

2400

T, K
1060

1050

1040

1030 1028 1026

1060

1050

1040

1030 1028

10-200

10-150

10-100 10-90

10-80

1024

1026

1024

10-70

Ellingham Diagram for User-Selected Oxides

1022
1022
10-60

1020

1019
1020

1018
1019

10-50

1017
1018
10-45

1016

1015

1017

1016
10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-35

1012
1013
10-30

10-28

10-26
1012

pBr2

100

-20

10-2
B

-40

B
B

10-4
M
m

-60
m
B
M

10-6

-80

10-8

-100

M
m

10-10

-120

DGo, Kcal/gfw

-140

10-12

M
Mb

-160

10-14
m

-180
m

10-16

-200
10-18

-220

10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

pBr2

400

10-200

600

10-150

800

10-100 10-90

1000

10-80

10-70

1200

10-60

Ellingham Diagram for Selected Bromides: Part-1

1400
T, K

10-50

1600

10-45

1800

10-40

2000

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

2200

2400

10-30

10-28

10-26

pCl2

100

-20
10-2

B
M
B

MB

-40

m
M

10-4

M
m

-60
M

10-6

B
M
m

-80

10-8

-100

m
B
M

10-10

-120
DGo, Kcal/gfw

Mm

-140

10-12

-160
10-14

-180
10-16

-200
10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pCl2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Chlorides: Part-1

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pCl2

100

-20
10-2
b

-40

10-4

MB

-60
B

10-6
b

-80
m

10-8

M B

-100

B
M

10-10

-120
DGo, Kcal/gfw

M m

-140

10-12

b
b

-160

M
m

10-14

-180
10-16

-200
10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pCl2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Chlorides: Part-2

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pCl2

100

b
m
B

-20

10-2

-40

10-4

-60
m

10-6

-80

10-8

-100

-120

10-10

DGo, Kcal/gfw

-140

10-12

m
M

-160

10-14

M
b

-180
10-16

-200

10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pCl2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Chlorides: Part-3

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pCl2

100

-20

10-2

-40

b
m

10-4

B
B

M
M

-60

b
M

10-6
m

-80
10-8

-100
B

10-10

-120
DGo, Kcal/gfw

-140

10-12

-160
10-14

-180
10-16

-200

10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pCl2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Chlorides: Part-4

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pCl2

100

-20
10-2
b

-40

M B

10-4

-60
m

10-6

-80
B

10-8

-100
B

10-10

-120
DGo, Kcal/gfw

-140

10-12

B
b

-160
M

-180

10-14

10-16

-200
10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pCl2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Chlorides: Part-5

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pCl2

100

-20
10-2
b
m

B
M

-40

B
m

10-4
M

-60

M
m
B

-80

10-6

m
M

10-8

-100
B

10-10

-120

DGo, Kcal/gfw

-140

10-12
b
M

-160
Mb

10-14

-180
m

10-16
m

-200

10-18

-220

10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

pCl2

400

10-200

600

10-150

800

10-100 10-90

1000

10-80

10-70

1200

10-60

Ellingham Diagram for Selected Chlorides: Part-6

1400
T, K

10-50

1600

10-45

1800

10-40

2000

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

2200

2400

10-30

10-28

10-26

pF2

100

-20
10-2

B
m
M

MB

-40

10-4

-60
10-6
b

-80

B
m

10-8

-100

b
B
m
M
M
B

10-10

-120
DGo, Kcal/gfw

-140

10-12
m

-160

B
m

10-14

-180
10-16

-200
10-18

-220

10-20

-240
M

m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pF2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Fluorides: Part-1

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pF2

100

-20
10-2

-40
10-4

-60

10-6
m

-80

m
M

10-8

-100
M
m
M

DGo, Kcal/gfw

-120

10-10

-140

10-12

-160

B
B

10-14
B

-180

M
m

10-16
B

-200
m

-220

10-18
M

10-20

-240

m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pF2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Fluorides: Part-2

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pF2

100

-20
10-2

-40
10-4

M
B

-60

10-6
m

-80
B

10-8

-100
B

mM

-120

10-10

b
m

DGo, Kcal/gfw

-140

10-12

-160

10-14

-180

10-16

-200

10-18

-220

b
m
M

10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pF2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Fluorides: Part-3

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pF2

100

-20
10-2

-40
10-4
m

-60
B
M

10-6

-80
10-8

-100

M
m

10-10

-120
DGo, Kcal/gfw

-140

10-12

-160
10-14
B
B

-180

Bm

10-16

-200
10-18

b
M

-220

b M

10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

m
m

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pF2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Fluorides: Part-4

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pF2

100

-20
10-2

-40
10-4

-60
10-6

-80
10-8

-100

DGo, Kcal/gfw

10-10

-120

M b

-140

10-12
m
m
m

-160

10-14

-180
m

B
m

10-16
M

-200
M

10-18

b
M

-220
m

b
M

10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pF2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Fluorides: Part-5

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pCO/pCO2
pH2/pH2O

10-40
10-40

10-30
10-30

10-20 10-18 10-16


10-20 10-18 10-16

10-14

10-14

10-12

10-12

10-10
10-10

10-9

10-9

10-8

10-7

10-8

10-7

10-6

10-5

10-6

10-4

10-5

10-3
10-4

10-2

pO2

10-3

100

10-2 10-1

-20
10-2
10-1

100

-40
10-4
100

10

-60
M

10-6
101

-80

10

10-8
102

-100
H

-120

103

103

10-10

DGo, Kcal/gfw

104

CX

-140

104

10-12
105

-160
105

10-14
106

-180
106

10-16
107

-200
107
10-18
108

-220
108

10-20
109

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

109
10-22
1010

1010

-280

10-24
1011

-300

1011

200
pH2/pH2O
pCO/pCO2
pO2

400
1060
1060
10-200

600

800

1000

1050

1040

1030 1028 1026

1050

1040

1030 1028

10-150

10-100 10-90

10-80

1024

1026

1024

10-70

Ellingham Diagram for User-Selected Oxides

1200
1022
1022
10-60

1400
T, K

1020

1019
1020

1018
1019

10-50

1600
1017
1018
10-45

1800

1016
1017

1015
1016

10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

2000

2200

1014

1013

1015

1014

10-35

2400
1012
1013
10-30

10-28

10
1012

-26

pH2

10100

1050

1040

1035

1030 1028 1026 1024

1022

1020 1019 1018 1017

1016

1015

1014

1013

1012

1011

1010

109

100
108

90

107

80

106

70

DGo, Kcal/gfw

60

105

50
104

40
103

30

102

20

m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

10

101

100

200

400

600

800

1000

1200

1400

1600

1800

T, K

Ellingham Diagram for User-Selected Hydrides

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

2000

2200

2400

pH2

pCO/pCO2
pH2/pH2O

10-40
10-40

10-30
10-30

10-20 10-18 10-16


10-20 10-18 10-16

10-14

10-14

10-12

10-12

10-10
10-10

10-9

10-9

10-8

10-7

10-8

10-7

10-6

10-5

10-6

10-4

10-5

10-3
10-4

10-2

pO2

10-3

100

10-2 10-1

-20

10-2
10-1

10

-40
10-4
100

10

-60
M

10-6

101

-80

102

10-8
102

-100
H

-120

103

103

10-10

DGo, Kcal/gfw

104

CX

-140

104

10-12
105

-160
105

10-14
106

-180
106

10-16
107

-200
107
10-18
108

-220
108

10-20
109

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

109
10-22
1010

-280

1010
10-24
1011

-300

1011

200
pH2/pH2O
pCO/pCO2
pO2

400

600

800

1000

1060

1050

1040

1030 1028 1026

1060

1050

1040

1030 1028

10-200

10-150

10-100 10-90

10-80

1024

1026

1024

10-70

Ellingham Diagram for User-Selected Oxides

1200
1022
1022
10-60

1400
T, K

1020

1019
1020

1018
1019

10-50

1600
1017
1018
10-45

1800

1016

1015

1017

1016
10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

2000

2200

1014

1013

1015

1014

10-35

2400
1012
1013
10-30

10-28

10
1012

-26

pH2

100

-20
10-2

m
m

-40
10-4

-60
10-6

-80
10-8

-100

10-10

DGo, Kcal/gfw

-120

-140

10-12

-160
10-14

-180
10-16

-200
10-18

-220

10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pH2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Hydrides: Part-1

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pH2

100

M
m
m

-20

10-2

-40
10-4

-60
10-6

-80
10-8

-100

10-10

DGo, Kcal/gfw

-120

-140

10-12

-160
10-14

-180
10-16

-200
10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pH2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Hydrides: Part-2

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pH2

100

m
mm

-20

10-2

-40
10-4

-60
10-6

-80
10-8

-100

10-10

DGo, Kcal/gfw

-120

-140

10-12

-160
10-14

-180
10-16

-200
10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pH2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Hydrides: Part-3

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

10100

pH2

1050

1040

1035

1030 1028 1026 1024

1022

1020 1019 1018 1017

1016

1015

1014

1013

1012

1011

1010

109

100
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

90

108

107

80

106

70

DGo, Kcal/gfw

60

105

50
104

40
103

30

102

20

101

10

100

200

400

600

800

1000

1200

1400

1600

1800

2000

T, K

Ellingham Diagram for Selected Hydrides: Part-4

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

2200

2400

pH2

10100

pH2

1050

1040

1035

1030 1028 1026 1024

1022

1020 1019 1018 1017

1016

1015

1014

1013

1012

1011

1010

109

100
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

90

108

107

80

106

70

DGo, Kcal/gfw

60

105

50
104

40
103

30

102

20

101

10

100

200

400

600

800

1000

1200

1400

1600

1800

2000

T, K

Ellingham Diagram for Selected Hydrides: Part-5

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

2200

2400

pH2

pI2

100

-20

Bb

10-2

-40

10-4
m

-60
10-6

-80
B

10-8

-100
b
M

DGo, Kcal/gfw

-120

-140

10-10

10-12

-160
10-14

-180
10-16

-200
10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pI2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Iodides: Part-1

10-50

10-45

10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-35

10-30

10-28

10-26

pI2

100

-20

10-2

-40
B

10-4

-60
10-6

-80
10-8

-100

-120

10-10

DGo, Kcal/gfw

b
M

-140

10-12

-160

10-14

-180
10-16

-200
10-18

-220

10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pI2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Iodides: Part-2

10-50

10-45

10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-35

10-30

10-28

10-26

pN2

100

-20
10-2

-40
10-4

-60
10-6
m

-80

10-8

-100
m

10-10

DGo, Kcal/gfw

-120

-140

10-12

-160
10-14

-180
10-16

-200
10-18

-220

10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pN2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Nitrides: Part-1

10-50

10-45

10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-35

10-30

10-28

10-26

pN2

100

-20
10-2

-40
b

10-4

-60
m

10-6

-80
10-8

-100
m

10-10

DGo, Kcal/gfw

-120

-140

10-12

-160
10-14

-180
10-16

-200
10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pN2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Nitrides: Part-2

10-50

10-45

10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-35

10-30

10-28

10-26

pCO/pCO2
pH2/pH2O

10-40
10

10-30

10

-40

10-20 10-18 10-16


10 10

-30

-20

-18

10

-16

10-14

10

-14

10-12

10

10-10 10-9
10

-12

-10

10

10-8

10-7

10

-9

10

-8

10-6

10-5

10

-7

10-4

10

-6

10-3

10-2

10

-5

pO2

10

-4

-3

100

10-2 10-1

b
M

-20

10-2
b

10-1

100

-40

10-4

100

m
M

101

-60
10-6
101
10

-80

10-8
102

-100

10

-120

103

10-10

DGo, Kcal/gfw

104

CX

-140

104

10-12
105

-160
105
m

10-14
106

-180
106

10-16
107

-200
107
10-18
108

-220
m

108

-240

10-20
109

m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

109
10-22
1010

1010

-280

10-24
1011

-300

1011

200
pH2/pH2O
pCO/pCO2
pO2

400

600

800

1000

1200

1400

1600

1800

2000

2200

1014

1013

1015

1014

2400

T, K
1060

1050

1040

1030 1028 1026

1060

1050

1040

1030 1028

10-200

10-150

10-100 10-90

10-80

1024

1026
10-70

1024

1022
1022
10-60

Ellingham Diagram for Selected Oxides: Part-1

1020

1019
1020

1018
1019

10-50

1017
1018
10-45

1016

1015

1017

1016
10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-35

1012
1013
10-30

10-28

10-26
1012

pCO/pCO2
pH2/pH2O

10-40
10

10-30

10

-40

-30

10-20 10-18 10-16


10 10
-20

-18

10

-16

10-14

10

-14

10-12

10

10-10 10-9
10

-12

-10

10

-9

10-8

10-7

10

10

-8

10-6

10-5

10

-7

10-4

10

-6

10-3

10-2

10

-5

pO2

10

-4

-3

100

10-2 10-1

-20
10-2
M

10-1

100

-40

10-4

100

101

-60
M

10-6
101
b

-80

10

10-8

-100
H

-120

102

10

103

10-10

DGo, Kcal/gfw

104
m

CX

-140

104

10-12
105

-160

105

10-14
106

-180
b

106

10-16
107

-200
m

107
10-18
108

-220
m
m

108
10-20
109

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

109
10-22
1010

1010

-280

10-24
1011

-300

1011

200
pH2/pH2O
pCO/pCO2
pO2

400

600

800

1000

1200

1400

1600

1800

2000

2200

1014

1013

1015

1014

2400

T, K
1060

1050

1040

1030 1028 1026

1060

1050

1040

1030 1028

10-200

10-150

10-100 10-90

10-80

1024

1026
10-70

1024

1022
1022
10-60

Ellingham Diagram for Selected Oxides: Part-2

1020

1019
1020

1018
1019

10-50

1017
1018
10-45

1016

1015

1017

1016
10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-35

1012
1013
10-30

10-28

10-26
1012

pCO/pCO2
pH2/pH2O

10-40
10-40

10-30
10-30

10-20 10-18 10-16


10-20 10-18 10-16

10-14

10-14

10-12

10-12

10-10
10-10

10-9

10-9

10-8

10-7

10-8

10-7

10-6

10-5

10-6

10-4

10-5

10-3
10-4

10-2

pO2

10-3

100

10-2 10-1

-20

10-2
10-1

10

-40
10-4

100

10

-60

10-6

M
b

-80

BM
m

101

b
m

-100

10

10-8
102
103

-120 X

103

10-10
104

DGo, Kcal/gfw

CX

-140

104

10-12
105

M
m

-160

M
m

105

10-14
106

-180

106

10-16
107

-200
m
m

-220

107

10-18
108

108

-240

10-20
109

m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

109
10-22
1010

-280

1010
10-24
1011

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

1011
101210

-26

T, K
pH2/pH2O
pCO/pCO2
pO2

1060

1050

1040

1030 1028 1026

1060

1050

1040

1030 1028

10-200

10-150

10-100 10-90

10-80

1024

1026
10-70

1024

1022
1022
10-60

Ellingham Diagram for Selected Oxides: Part-3

1020

1019
1020

1018
1019

10-50

1017
1018
10-45

1016

1015

1017

1016
10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

1014

1013

1015

1014

10-35

1012
1013
10-30

10-28

pCO/pCO2
pH2/pH2O

10-40
10

10-30

10

-40

-30

10-20 10-18 10-16


10 10
-20

-18

10

-16

10-14

10

-14

10-12

10

10-10 10-9
10

-12

-10

10

-9

10-8

10-7

10

10

-8

10-6

10-5

10

-7

10-4

10

-6

10-3

10-2

10

-5

pO2

10

-4

-3

100

10-2 10-1

-20

10-2
10-1

-40

100

M
m

10-4
100

101

-60
10-6
101

-80

10

10-8
102

-100

10

m
M

-120

103

10-10

DGo, Kcal/gfw

104

CX

-140

104

10-12
105

-160
105

10-14
106

-180

106

10-16
107

-200
b

107
10-18
108

-220

108
10-20
109

-240
m

m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

109
10-22
1010

1010

-280

10-24
1011

-300

1011

200
pH2/pH2O
pCO/pCO2
pO2

400

600

800

1000

1200

1400

1600

1800

2000

2200

1014

1013

1015

1014

2400

T, K
1060

1050

1040

1030 1028 1026

1060

1050

1040

1030 1028

10-200

10-150

10-100 10-90

10-80

1024

1026
10-70

1024

1022
1022
10-60

Ellingham Diagram for Selected Oxides: Part-4

1020

1019
1020

1018
1019

10-50

1017
1018
10-45

1016

1015

1017

1016
10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-35

1012
1013
10-30

10-28

10-26
1012

pCO/pCO2
pH2/pH2O

10-40
10-40

10-30

10-20 10-18 10-16

10-30

10-20 10-18 10-16

10-14

10-14

10-12

10-12

10-10
10-10

10-9

10-9

10-8

10-7

10-8

10-7

10-6

10-5

10-6

10-4

10-5

10-3
10-4

10-2

pO2

10-3

100

10-2 10-1

-20

10-2
10-1
B

10

-40

10-4
m

100

10

-60
M

10-6

101

-80

102

10-8

-100
H

-120

102

M b

103

103

10-10

DGo, Kcal/gfw

104

CX

-140

104

10-12
105

-160
105

10-14
106

-180
106

10-16
107

-200

107
m

10-18
108

-220
m

108
10-20
109

-240
m

m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

109
10-22
1010

-280

1010
10-24
1011

-300

1011

200
pH2/pH2O
pCO/pCO2
pO2

400

600

1060

1050

1040

1060

1050

1040

10-200

10-150

800

1000

1030 1028 1026


1030 1028
10-100 10-90

10-80

1024

1026
10-70

1200
1022

1024

1022
10-60

Ellingham Diagram for Selected Oxides: Part-5

1400
T, K

1020

1019
1020

1018
1019

10-50

1600
1017
1018
10-45

1800

1016

1015

1017

1016
10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

2000

2200

1014

1013

1015

1014

10-35

2400
1012
1013
10-30

10-28

10
1012

-26

pCO/pCO2
pH2/pH2O

10-40
10

10-30

10

-40

-30

10-20 10-18 10-16


10 10
-20

-18

10

-16

10-14

10

-14

10-12

10

10-10 10-9
10

-12

-10

10

10-8

10-7

10

-9

10

-8

10-6

10-5

10

-7

10-4

10

-6

10-3
10

-5

10-2

pO2

10

-4

-3

100

10-2 10-1

-20
10-2
10-1

100

-40
10-4
100

101

-60
B

10-6
101
10

-80
m

10-8
102

-100
H

-120

10

103
M

DGo, Kcal/gfw

10-10
104

CX

-140

104

10-12
105

-160
105

10-14
106

-180

106

10-16
107

-200
107
10-18
108

-220
m

108
10-20
109

-240

m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

109
10-22
1010

1010

-280

10-24
1011

-300

1011

200
pH2/pH2O
pCO/pCO2
pO2

400

600

800

1000

1200

1400

1600

1800

2000

2200

1014

1013

1015

1014

2400

T, K
1060

1050

1040

1030 1028 1026

1060

1050

1040

1030 1028

10-200

10-150

10-100 10-90

10-80

1024

1026
10-70

1024

1022
1022
10-60

Ellingham Diagram for Selected Oxides: Part-6

1020

1019
1020

1018
1019

10-50

1017
1018
10-45

1016

1015

1017

1016
10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-35

1012
1013
10-30

10-28

10-26
1012

pCO/pCO2
pH2/pH2O

10-40
10

10-30

10

-40

-30

10-20 10-18 10-16


10 10
-20

-18

10

-16

10-14

10

-14

10-12

10

10-10 10-9
10

-12

-10

10

-9

10-8

10-7

10

10

-8

10-6

10-5

10

-7

10-4

10

-6

10-3

10-2

10

-5

pO2

10

-4

-3

100

10-2 10-1

-20
10-2
10-1

100

-40
M

10-4
100

101

-60
10-6
101

10

-80

10-8
102

-100

10

b
M

-120

103

10-10
104

DGo, Kcal/gfw

CX

-140

104

10-12
105

mM
m

-160
105

10-14
106

-180
106

10-16
107

-200
107
10-18
108

-220

108
10-20
109

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

109
10-22
1010

1010

-280

10-24
1011

-300

1011

200
pH2/pH2O
pCO/pCO2
pO2

400

600

800

1000

1200

1400

1600

1800

2000

2200

1014

1013

1015

1014

2400

T, K
1060

1050

1040

1030 1028 1026

1060

1050

1040

1030 1028

10-200

10-150

10-100 10-90

10-80

1024

1026
10-70

1024

1022
1022
10-60

Ellingham Diagram for Selected Oxides: Part-7

1020

1019
1020

1018
1019

10-50

1017
1018
10-45

1016

1015

1017

1016
10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-35

1012
1013
10-30

10-28

10-26
1012

pS2

100

-20
10-2

-40

10-4

-60
m

10-6

-80
m

10-8

-100

10-10

DGo, Kcal/gfw

-120

-140

10-12

-160
10-14

-180
10-16

-200
10-18

-220
m

10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pS2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Sulfides: Part-1

10-50

10-45

10-40

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-35

10-30

10-28

10-26

pS2

100

-20

m
M

10-2

-40
10-4

-60

10-6

-80
m

10-8

-100

10-10

DGo, Kcal/gfw

-120

-140

10-12

-160

10-14

-180
10-16

-200
10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280

10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pS2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Sulfides: Part-2

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pS2

100

-20
10-2

-40
B

10-4

M
m

-60
10-6
M

-80
m

10-8

-100

10-10

DGo, Kcal/gfw

-120

-140

M
b

10-12

-160
10-14

-180
10-16

-200
10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pS2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Sulfides: Part-3

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pS2

100

-20

10-2

m
M

M B

-40
10-4
m

-60

10-6
M

-80

10-8

-100

10-10

DGo, Kcal/gfw

-120

-140

10-12

-160
10-14

-180

10-16

-200
M

10-18

-220
m

10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pS2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Sulfides: Part-4

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pSe2

100

X
B B
M

-20

xm
x

-40

10-2

M
M

xx
x

X
X
X

Bm

m
X

10-4

-60

B
x

X
b

-80

10-6

X
m

10-8

-100

10-10

DGo, Kcal/gfw

-120

-140

10-12

-160
10-14

-180
10-16

-200
10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pSe2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Selenides: Part-1

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

pTe2

100

-20

M
m X

x
M

10-2

-40

10-4
m

-60
10-6

-80
10-8

-100

-120

10-10

X
m

DGo, Kcal/gfw

-140

10-12

-160
10-14

-180
10-16

-200
10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280
10-24

-300
0

200

pTe2

400

10-200

10-150

600

800

10-100 10-90

10-80

1000

10-70

1200

10-60

Ellingham Diagram for Selected Tellurides: Part-1

1400
T, K

10-50

1600

10-45

1800

10-40

2000

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

2200

10-30

2400

10-28

10-26

pTe2

100

X
M

2Ge + Te2 = 2GeTe

-20

x
x

m
B

B
X
X

10-2

2Sn + Te2 = 2SnTe

-40

X
m
b

10-4
X

x
m x

-60

10-6

-80
10-8

-100

10-10

DGo, Kcal/gfw

-120

-140

10-12

-160
10-14

-180
10-16

-200
10-18

-220
10-20

-240
m - Element Melting
b - Element Boiling
M - Compound Melting
B - Compound Boiling

-260

10-22

-280

10-24

-300
0

200

400

600

800

1000

1200

1400

1600

1800

2000

2200

2400

T, K
pTe2

10-200

10-150

10-100 10-90

10-80

10-70

10-60

Ellingham Diagram for Selected Tellurides: Part-2

10-50

10-45

10-40

10-35

2006 Stanley. M. Howard


Data from Thomas B. Reed, Free Energy of Formation of Binary Compounds, MIT Press, Cambridge, MA, 1971.

10-30

10-28

10-26

Bromide Data
1

Part-1
H
H2 + Br2 = 2HBr

RUN
o
T, K DG , Kcal/mol
0
-25.6
1760
-31.2

P
2/3P + Br2 = 2/3PBr3

o
T, K DG , Kcal/mol
0
-30.3
1760
-9.4

W
1/3W + Br2 = 1/3WBr6
B

o
T, K DG , Kcal/mol
0
-34.2
582
-13.8
1220
0.0

B
2/3B + Br2 = 2/3BBr3
B

o
T, K DG , Kcal/mol
0
-42.8
364
-37.6
1760
-25.6

Hg
Hg + Br2 = HgBr2
M
B
b

o
T, K DG , Kcal/mol
0
-48.3
514
-29.5
592
-27.5
630
-27.4
1760
-1.8

Fe
Fe + Br2 = FeBr2
M
B

o
T, K DG , Kcal/mol
0
-65.0
964
-38.6
1207
-35.6
1760
-40.8

Pb
Pb + Br2 = PbBr2
m
M

o
T, K DG , Kcal/mol
0
-71.2
601
-52.8
640
-51.5

Part-2
p
o
Br
T, K DG , Kcal/mol
2Br = Br2 0
9.8
m
266
1.5
333
0.0

1187
1760

-38.8
-40.7

Ti
1/2Ti + Br2 = 1/2TiBr4
M
B

o
T, K DG , Kcal/mol
0
-80.8
311
-70.2
504
-66.6
1760
-46.6

Al
2/3Al + Br2 = 2/3AlBr3
M
B
m

o
T, K DG , Kcal/mol
0
-90.8
370
-76.0
528
-71.2
932
-64.0
1760
-57.4

10

Be
2/3Be + Br2 = 2/3BeBr3
M
B
m

o
T, K DG , Kcal/mol
0
-94.0
761
-69.6
794
-69.0
1556
-72.5
1760
-73.6

11

Zr
1/2Zr + Br2 = 1/2ZrBr4
B

o
T, K DG , Kcal/mol
0
-98.5
630
-76.4
1760
-59.6

12

Mg
Mg + Br2 = MgBr2
m
M
b
B

o
T, K DG , Kcal/mol
0
-129.1
923
-97.9
984
-95.6
1363
-85.8
1557
-77.0
1760
-71.6

13

Li
2Li + Br2 = 2LiBr
m
M
b

o
T, K DG , Kcal/mol
0
-174.8
454
-158.4
823
-144.3
1597
-126.2
1611
-125.3

14

Na
2Na + Br2 = 2NaBr
m

o
T, K DG , Kcal/mol
0
-177.1
371
-164.6

M
b
B

1020
1156
1720

-136.2
-133.5
-98.1

K
2K + Br2 = 2KBr
m
M
b
B

o
T, K DG , Kcal/mol
0
-196.4
336
-180.2
1007
-150.6
1031
-150.0
1657
-111.1

Al
2/3Al + Br2 = 2/3AlBr3
M
B
m

o
T, K DG , Kcal/mol
0
-90.8
370
-76.0
528
-71.2
932
-64.0
1760
-57.4

B
2/3B + Br2 = 2/3BBr3

o
T, K DG , Kcal/mol
0
-42.8

15

16

17

18

19

364
1760

-37.6
-25.6

o
Be
T, K DG , Kcal/mol
2/3Be + Br2 = 2/3BeBr3
0
-94.0
M
761
-69.6
B
794
-69.0
m
1556
-72.5
1760
-73.6

Br
2Br = Br2
m

o
T, K DG , Kcal/mol
0
9.8
266
1.5
333
0.0

Fe
Fe + Br2 = FeBr2
M
B

o
T, K DG , Kcal/mol
0
-65.0
964
-38.6
1207
-35.6
1760
-40.8

H
H2 + Br2 = 2HBr

o
T, K DG , Kcal/mol
0
-25.6
1760
-31.2

Hg
Hg + Br2 = HgBr2
M
B
b

o
T, K DG , Kcal/mol
0
-48.3
514
-29.5
592
-27.5
630
-27.4
1760
-1.8

K
2K + Br2 = 2KBr
m
M
b
B

o
T, K DG , Kcal/mol
0
-196.4
336
-180.2
1007
-150.6
1031
-150.0
1657
-111.1

Li

o
T, K DG , Kcal/mol

2Li + Br2 = 2LiBr


m
M
b

0
454
823
1597
1611

-174.8
-158.4
-144.3
-126.2
-125.3

10

Mg
Mg + Br2 = MgBr2
m
M
b
B

o
T, K DG , Kcal/mol
0
-129.1
923
-97.9
984
-95.6
1363
-85.8
1557
-77.0
1760
-71.6

11

Na
2Na + Br2 = 2NaBr
m
M
b
B

o
T, K DG , Kcal/mol
0
-177.1
371
-164.6
1020
-136.2
1156
-133.5
1720
-98.1

12

P
2/3P + Br2 = 2/3PBr3

o
T, K DG , Kcal/mol
0
-30.3
1760
-9.4

13

Pb
Pb + Br2 = PbBr2
m
M
B

o
T, K DG , Kcal/mol
0
-71.2
601
-52.8
640
-51.5
1187
-38.8
1760
-40.7

14

Ti
1/2Ti + Br2 = 1/2TiBr4
M
B

o
T, K DG , Kcal/mol
0
-80.8
311
-70.2
504
-66.6
1760
-46.6

15

W
1/3W + Br2 = 1/3WBr6
B

o
T, K DG , Kcal/mol
0
-34.2
582
-13.8
1220
0.0

16

Zr
1/2Zr + Br2 = 1/2ZrBr4
B

o
T, K DG , Kcal/mol
0
-98.5
630
-76.4
1760
-59.6

Chloride Data

RUN
Part-1

C
1/2C + Cl2 = 1/2CCl4

T, K
0
2500

DGo , Kcal/mol
-12.3
27.4

Ir
Ir + Cl2 = IrCl2
M

T, K
0
2500

DGo , Kcal/mol
-29.0
-4.0

Te
1/2Te + Cl2 = 1/2TeCl4
M
B
m
b

T, K
0
497
665
723
1200

DGo , Kcal/mol
-38.2
-22.4
-20.0
-28.0
-12.0

Ta
2/5Ta + Cl2 = 2/5TaCl5
M
B

T, K
0
494
507
2500

DGo , Kcal/mol
-47.4
-32.3
-32.1
-9.4

Ag
2Ag + Cl2 = 2AgCl
M
m
B
b

T, K
0
728
1234
1837
2485
2500

DGo , Kcal/mol
-60.0
-41.4
-36.0
-27.6
-29.2
-30.4

Ni
Ni + Cl2 = NiCl2
M
B
m

T, K
0
626
1260
1725
2500

DGo , Kcal/mol
-72.0
-50.4
-30.0
-33.6
-38.2

2/3P + Cl2 = 2/3PCl3

2/3Bi + Cl2 = 2/3BiCl3

2/3Fe + Cl2 = 2/3FeCl3

1/2Si + Cl2 = 1/2SiCl4

10

11

12

13

Ga
2/3Ga + Cl2 = 2/3GaCl3
m
M
B

T, K
0
303
351
575
2500

DGo , Kcal/mol
-84.4
-73.2
-71.4
-66.8
-60.2

V
V + Cl2 = VCl2
M
B
m

T, K
0
1273
1650
2190
2500

DGo , Kcal/mol
-108.0
-64.0
-54.4
-53.2
-52.0

U
2/3U + Cl2 = 2/3UCl3
M
m
B

T, K
0
1108
1406
2000
2500

DGo , Kcal/mol
-140.6
-103.6
-95.4
-78.7
-74.1

Ac
2/3Ac + Cl2 = 2/3AcCl3
M
m
B

T, K
0
1075
1090
2030
2500

DGo , Kcal/mol
-162.0
-128.4
-128.0
-101.6
-97.6

2/3In + Cl2 = 2/3InCl3

2/3Al + Cl2 = 2/3AlCl3

2/3Sc + Cl2 = 2/3ScCl3

2/3La + Cl2 = 2/3LaCl3

14

15

16

17

18

19

Ac
2/3Ac + Cl2 = 2/3AcCl3
M
m
B

T, K
0
1075
1090
2030
2500

DGo , Kcal/mol
-162.0
-128.4
-128.0
-101.6
-97.6

Ag
2Ag + Cl2 = 2AgCl
M
m
B
b

T, K
0
728
1234
1837
2485
2500

DGo , Kcal/mol
-60.0
-41.4
-36.0
-27.6
-29.2
-30.4

Al
2/3Al + Cl2 = 2/3AlCl3
M
B
m
b

T, K
0
465
500
932
2273
2500

DGo , Kcal/mol
-110.9
-92.9
-91.7
-84.6
-70.2
-71.6

As
2/3As + Cl2 = 2/3AsCl3
B
b

T, K
0
395
886
2500

DGo , Kcal/mol
-47.2
-35.2
-36.0
-16.4

Au
2Au + Cl2 = 2AuCl

T, K
0
1000

DGo , Kcal/mol
-13.8
-8.2

Ba
Ba + Cl2 = BaCl2
m
M
b
B

T, K
0
977
1235
1911
2100
2500

DGo , Kcal/mol
-205.1
-169.2
-160.6
-140.0
-132.4
-124.0

Ba
2/3Ba + Cl2 = 2/3BaCl3
m

T, K
0
2313
2500

DGo , Kcal/mol
-62.8
-44.4
-42.8

Bi
2/3Bi + Cl2 = 2/3BiCl3
M
m
B
b

T, K
0
977
1235
1911
2100
2500

DGo , Kcal/mol
-59.2
-44.4
-43.2
-40.0
-28.4
-13.2

C
1/2C + Cl2 = 1/2CCl4

T, K
0
2500

DGo , Kcal/mol
-12.3
27.4

10

Ca
Ca + Cl2 = CaCl2
M
m
b
B

T, K
0
977
1235
1911
2100
2500

DGo , Kcal/mol
-188.8
-154.0
-152.0
-136.0
-128.8
-114.4

11

Cd
Cd + Cl2 = CdCl2
m
M
b
B

T, K
0
977
1235
1911
2100
2500

DGo , Kcal/mol
-92.0
-72.0
-62.4
-57.0
-48.0
-18.0

12

Co
Co + Cl2 = CoCl2
M
B
m

T, K
0
1000
1323
1768
2500

DGo , Kcal/mol
-76.0
-45.0
-39.6
-40.6
-39.2

13

Cr

T, K

DGo , Kcal/mol

2/3Cr + Cl2 = 2/3CrCl3


B
m
b

0
1220
2173
2495

-87.6
-44.4
-42.8
-42.0

14

Cs
2Cs + Cl2 = 2CsCl
m
M
b
B

T, K
0
977
1235
1911
2100
2500

DGo , Kcal/mol
-212.6
-198.0
-164.0
-163.0
-127.0
-108.0

15

Cu
2Cu + Cl2 = 2CuCl
M
m
B

T, K
0
703
1356
1963

DGo , Kcal/mol
-63.7
-46.9
-41.2
-36.5

16

Fe
Fe + Cl2 = FeCl2
M
B
m

T, K
0
950
1285
1809
2500

DGo , Kcal/mol
-80.4
-53.5
-19.7
-30.6
-54.6

17

Fe
2/3Fe + Cl2 = 2/3FeCl3
M
B
m

T, K
0
577
592
1809
2500

DGo , Kcal/mol
-63.8
-46.4
-46.0
-30.0
-21.2

18

Ga
2/3Ga + Cl2 = 2/3GaCl3
m
M
B

T, K
0
303
351
575
2500

DGo , Kcal/mol
-84.4
-73.2
-71.4
-66.8
-60.2

19

Ge
2/3Ge + Cl2 = 2/3GeCl3
B

T, K
0
357

DGo , Kcal/mol
-64.8
-55.2

1210
2500

-40.6
-15.2

20

H
2H + Cl2 = 2HCl

T, K
0
2500

DGo , Kcal/mol
-45.0
-52.3

21

Hf
1/2Hf + Cl2 = 1/2HfCl4
B

T, K
0
590
2500

DGo , Kcal/mol
-126.8
-106.8
-82.0

22

Hg
Hg + Cl2 = HgCl2
M
B
b

T, K
0
550
577
630
1800

DGo , Kcal/mol
-53.4
-33.0
-30.8
-30.0
0.0

23

In
2/3In + Cl2 = 2/3InCl3
m
B
b

T, K
0
430
771
2400
2500

DGo , Kcal/mol
-85.0
-71.4
-59.2
-59.2
-58.2

24

Ir
Ir + Cl2 = IrCl2
M

T, K
0
2500

DGo , Kcal/mol
-29.0
-4.0

K
2K + Cl2 = 2KCl
m
M
b

T, K
0
336
1031
1043

DGo , Kcal/mol
-209.4
-193.2
-161.0
-160.0

25

2/5P + Cl2 = 2/5PCl5

1680
2500

-122.4
-110.4

26

La
2/3La + Cl2 = 2/3LaCl3
M
m
B

T, K
0
1125
1153
2020
2500

DGo , Kcal/mol
-169.0
-131.2
-130.4
-109.0
-106.0

27

Li
2Li + Cl2 = 2LiCl
m
M
b
B

T, K
0
459
887
1597
1655
2500

DGo , Kcal/mol
-193.6
-177.6
-161.0
-141.2
-138.4
-118.4

Mg
Mg + Cl2 = MgCl2
m
M
b
B

T, K
0
923
987
1376
1691
2500

DGo , Kcal/mol
-151.0
-116.0
-115.6
-103.6
-90.0
-68.4

Mn
2/3Mn + Cl2 = 2/3MnCl3
M
B
m
b

T, K
0
860
900
1517
2309
2500

DGo , Kcal/mol
-73.5
-43.6
-42.8
-37.0
-26.4
-23.0

Mo
1/3Mo + Cl2 = 1/3MoCl6
M
B

T, K
0
580
630
1500

DGo , Kcal/mol
-29.2
-12.8
-11.6
0.0

Na
2Na + Cl2 = 2NaCl
m
M
b
B

T, K
0
371
1073
1156
1738
2500

DGo , Kcal/mol
-196.8
-180.0
-149.4
-145.6
-110.0
.96.8

28

29

30

31

2/3Re + Cl2 = 2/3ReCl3

2/3Mn + Cl2 = 2/3MnCl3

2/3Sc + Cl2 = 2/3ScCl3

1/2Se + Cl2 = 1/2SeCl4

1/2Si + Cl2 = 1/2SiCl4

Nb
2/5Nb + Cl2 = 2/5NbCl5
M
B

T, K
0
483
519
2500

DGo , Kcal/mol
-46.4
-30.2
-29.2
1.2

Ni
Ni + Cl2 = NiCl2
M
B
m

T, K
0
626
1260
1725
2500

DGo , Kcal/mol
-72.0
-50.4
-30.0
-33.6
-38.2

P
2/3P + Cl2 = 2/3PCl3
m
b

T, K
0
317
553
1000

DGo , Kcal/mol
-44.5
-41.1
-38.5
-32.0

35

P
2/5P + Cl2 = 2/5PCl5
m
b

T, K
0
317
553
1000

DGo , Kcal/mol
-38.2
-30.6
-25.0
-13.8

36

Pb
Pb + Cl2 = PbCl2
m
M
B
b

T, K
0
601
771
1227
2023
2500

DGo , Kcal/mol
-83.2
-62.5
-58.6
-47.6
-48.4
-42.4

37

Pt
Pt + Cl2 = PtCl2

T, K
0
856

DGo , Kcal/mol
-28.7
0.0

38

Rb

T, K

DGo , Kcal/mol

32

33

34

2AgC + Cl2 = 2AgCl

2NaC + Cl2 = 2NaCl

2/3Ga + Cl2 = 2/3GaCl3

2Rb + Cl2 = 2RbCl


m
b
M
B

0
312
952
990
1654
2000

-210.4
-195.9
-164.7
-161.6
-112.7
-105.0

39

Re
2/3Re + Cl2 = 2/3ReCl3
M

T, K
0
1000

DGo , Kcal/mol
-35.9
3.7

40

Sb
2/3Sb + Cl2 = 2/3SbCl3
M
B
m
b

T, K
0
346
492
903
1713
2500

DGo , Kcal/mol
-59.2
-50.4
-47.0
-44.4
-36.0
-14.0

41

Sc
2/3Sc + Cl2 = 2/3ScCl3
M
B
m

T, K
0
1233
1350
1811
2500

DGo , Kcal/mol
-145.4
-104.6
-102.0
-101.6
-101.4

42

Se
1/2Se + Cl2 = 1/2SeCl4
B
m
b

T, K
0
469
491
1000

DGo , Kcal/mol
-22.6
-8.4
-6.6
-1.0

43

Si
1/2Si + Cl2 = 1/2SiCl4
B
m

T, K
0
330
1683
2500

DGo , Kcal/mol
-73.4
-66.4
-47.2
-30.8

44

Sn
1/2Sn + Cl2 = 1/2SnCl4
B

T, K
0
386

DGo , Kcal/mol
-63.4
-52.4

m
b

505
2473
2500

-50.4
-17.2
-16.8

45

Sr
Sr + Cl2 = SrCl2
m
M
b
B

T, K
0
1043
1145
1640
2300
2500

DGo , Kcal/mol
-197.0
-160.7
-157.0
-144.0
-121.6
-119.0

46

Ta
2/5Ta + Cl2 = 2/5TaCl5
M
B

T, K
0
494
507
2500

DGo , Kcal/mol
-47.4
-32.3
-32.1
-9.4

47

Te
1/2Te + Cl2 = 1/2TeCl4
M
B
m
b

T, K
0
497
665
723
1200

DGo , Kcal/mol
-38.2
-22.4
-20.0
-28.0
-12.0

48

Ti
1/2Ti + Cl2 = 1/2TiCl4
B
m

T, K
0
409
1940
2500

DGo , Kcal/mol
-95.6
-84.8
-62.6
-54.0

49

U
2/3U + Cl2 = 2/3UCl3
M
m
B

T, K
0
1108
1406
2000
2500

DGo , Kcal/mol
-140.6
-103.6
-95.4
-78.7
-74.1

50

U
1/3U + Cl2 = 1/3UCl6
M
B
m

T, K
0
452
550
1406

DGo , Kcal/mol
-90.3
-74.9
-73.8
-64.2

51

V
V + Cl2 = VCl2
M
B
m

T, K
0
1273
1650
2190
2500

DGo , Kcal/mol
-108.0
-64.0
-54.4
-53.2
-52.0

52

W
1/3W + Cl2 = 1/3WCl6
B

T, K
0
548
1500

DGo , Kcal/mol
-36.1
-15.0
-0.8

53

Y
2/3Y + Cl2 = 2/3YCl3
M
B
m

T, K
0
973
1725
1773
2500

DGo , Kcal/mol
-154.4
-124.6
-110.0
-109.6
-107.6

54

Zn
Zn + Cl2 = ZnCl2
M
m
B
b

T, K
0
556
692
1005
1180
2500

DGo , Kcal/mol
-97.6
-79.2
-76.0
-68.0
-69.2
-47.6

55

Zr
1/2Zr + Cl2 = 1/2ZrCl4
B
m

T, K
0
604
2125
2500

DGo , Kcal/mol
-115.0
-94.0
-75.0
-69.6

Part-2

Part-3

Au
2Au + Cl2 = 2AuCl

T, K
0
1000

DG , Kcal/mol
-13.8
-8.2

o
Se
T, K DG , Kcal/mol
1/2Se + Cl2 = 1/2SeCl40
-22.6
B
469
-8.4
m
491
-6.6
b
1000
-1.0

Pt
Pt + Cl2 = PtCl2

T, K
0
856

DGo , Kcal/mol
-28.7
0.0

o
W
T, K DG , Kcal/mol
1/3W + Cl2 = 1/3WCl6 0
-36.1
B
548
-15.0
1500
-0.8

P
2/3P + Cl2 = 2/3PCl3
m
b

T, K
0
317
553
1000

DGo , Kcal/mol
-44.5
-41.1
-38.5
-32.0

o
Nb
T, K DG , Kcal/mol
2/5Nb + Cl2 = 2/5NbCl50
-46.4
M
483
-30.2
B
519
-29.2
2500
1.2

Bi
2/3Bi + Cl2 = 2/3BiCl3
M
m
B
b

T, K
0
977
1235
1911
2100
2500

DGo , Kcal/mol
-59.2
-44.4
-43.2
-40.0
-28.4
-13.2

o
Ba
T, K DG , Kcal/mol
2/3Ba + Cl2 = 2/3BaCl30
-62.8
m
2313
-44.4
2500
-42.8

Fe
2/3Fe + Cl2 = 2/3FeCl3
M
B
m

T, K
0
577
592
1809
2500

DGo , Kcal/mol
-63.8
-46.4
-46.0
-30.0
-21.2

Si
1/2Si + Cl2 = 1/2SiCl4
B
m

T, K
0
330
1683
2500

DGo , Kcal/mol
-73.4
-66.4
-47.2
-30.8

Co
Co + Cl2 = CoCl2
M
B
m

o
T, K DG , Kcal/mol
0
-76.0
1000
-45.0
1323
-39.6
1768
-40.6
2500
-39.2

o
U
T, K DG , Kcal/mol
1/3U + Cl2 = 1/3UCl6 0
-90.3
M
452
-74.9
B
550
-73.8
m
1406
-64.2

In
2/3In + Cl2 = 2/3InCl3
m
B
b

T, K
0
430
771
2400
2500

DGo , Kcal/mol
-85.0
-71.4
-59.2
-59.2
-58.2

o
Zr
T, K DG , Kcal/mol
1/2Zr + Cl2 = 1/2ZrCl4 0
-115.0
B
604
-94.0
m
2125
-75.0
2500
-69.6

Al
2/3Al + Cl2 = 2/3AlCl3
M
B
m
b

T, K
0
465
500
932
2273
2500

DGo , Kcal/mol
-110.9
-92.9
-91.7
-84.6
-70.2
-71.6

Mg
Mg + Cl2 = MgCl2
m
M
b
B

o
T, K DG , Kcal/mol
0
-151.0
923
-116.0
987
-115.6
1376
-103.6
1691
-90.0
2500
-68.4

Sc
2/3Sc + Cl2 = 2/3ScCl3
M
B
m

T, K
0
1233
1350
1811
2500

DGo , Kcal/mol
-145.4
-104.6
-102.0
-101.6
-101.4

Ca
Ca + Cl2 = CaCl2
M
m
b
B

o
T, K DG , Kcal/mol
0
-188.8
977
-154.0
1235
-152.0
1911
-136.0
2100
-128.8
2500
-114.4

La
2/3La + Cl2 = 2/3LaCl3
M
m
B

T, K
0
1125
1153
2020
2500

DGo , Kcal/mol
-169.0
-131.2
-130.4
-109.0
-106.0

Sr
Sr + Cl2 = SrCl2
m
M
b
B

T, K
0
1043
1145
1640
2300
2500

DGo , Kcal/mol
-197.0
-160.7
-157.0
-144.0
-121.6
-119.0

Ba
Ba + Cl2 = BaCl2
m
M
b
B

T, K
0
977
1235
1911
2100
2500

DGo , Kcal/mol
-205.1
-169.2
-160.6
-140.0
-132.4
-124.0

o
Rb
T, K DG , Kcal/mol
2Rb + Cl2 = 2RbCl 0
-210.4
m
312
-195.9
b
952
-164.7
M
990
-161.6
B
1654
-112.7
2000
-105.0

old
Trans
2/5P + Cl2 = 2/5PCl5
m
b

T, K
0
317
553
1000

DGo , Kcal/mol
-38.2
-30.6
-25.0
-13.8

o
Trans
T, K DG , Kcal/mol
2/5Ta + Cl2 = 2/5TaCl50
-47.4
M
494
-32.3
B
507
-32.1
2500
-9.4

Trans
Pt + Cl2 = PtCl2

T, K
0
856

DGo , Kcal/mol
-28.7
0.0

o
Trans
T, K DG , Kcal/mol
1/2Te + Cl2 = 1/2TeCl40
-38.2
M
497
-22.4
B
665
-20.0
m
723
-28.0

1200

-12.0

Trans
2KC + Cl2 = 2KCl
m
M
b
B

T, K
0
336
1031
1043
1680
2500

DGo , Kcal/mol
-209.4
-193.2
-161.0
-160.0
-122.4
-110.4

o
Trans
T, K DG , Kcal/mol
1/2Sn + Cl2 = 1/2SnCl40
-63.4
B
386
-52.4
m
505
-50.4
b
2473
-17.2
2500
-16.8

Trans
2/3Re + Cl2 = 2/3ReCl3
M

T, K
0
1000

DGo , Kcal/mol
-35.9
3.7

o
Trans
T, K DG , Kcal/mol
1/2Ti + Cl2 = 1/2TiCl40
-95.6
B
409
-84.8
m
1940
-62.6
2500
-54.0

Trans
2/3Mn + Cl2 = 2/3MnCl3
M
B
m
b

T, K
0
860
900
1517
2309
2500

DGo , Kcal/mol
-73.5
-43.6
-42.8
-37.0
-26.4
-23.0

o
Trans
T, K DG , Kcal/mol
1/3W + Cl2 = 1/3WCl60
-36.1
B
548
-15.0
1500
-0.8

Trans
2/3Sc + Cl2 = 2/3ScCl3
M
B
m

T, K
0
1233
1350
1811
2500

DGo , Kcal/mol
-145.4
-104.6
-102.0
-101.6
-101.4

o
Trans
T, K DG , Kcal/mol
2/3U + Cl2 = 2/3UCl3 0
-140.6
M
1108
-103.6
m
1406
-95.4
B
2000
-78.7
2500
-74.1

Trans
1/2Se + Cl2 = 1/2SeCl4
B
m
b

T, K
0
469
491
1000

DGo , Kcal/mol
-22.6
-8.4
-6.6
-1.0

o
Trans
T, K DG , Kcal/mol
1/3U + Cl2 = 1/3UCl6 0
-90.3
M
452
-74.9
B
550
-73.8
m
1406
-64.2

Trans
1/2Si + Cl2 = 1/2SiCl4
B
m

T, K
0
330
1683
2500

DGo , Kcal/mol
-73.4
-66.4
-47.2
-30.8

o
Trans
T, K DG , Kcal/mol
V + Cl2 = VCl2
0
-108.0
M
1273
-64.0
B
1650
-54.4
m
2190
-53.2
2500
-52.0

Trans
2AgC + Cl2 = 2AgCl
M
m
B
b

T, K
0
728
1234
1837
2485
2500

DGo , Kcal/mol
-60.0
-41.4
-36.0
-27.6
-29.2
-30.4

o
Trans
T, K DG , Kcal/mol
2/3Y + Cl2 = 2/3YCl3 0
-154.4
M
973
-124.6
B
1725
-110.0
m
1773
-109.6
2500
-107.6

Trans
2NaC + Cl2 = 2NaCl
m
M
b
B

T, K
0
371
1073
1156
1738
2500

DGo , Kcal/mol
-196.8
-180.0
-149.4
-145.6
-110.0
.96.8

o
Trans
T, K DG , Kcal/mol
Zn + Cl2 = ZnCl2 0
-97.6
M
556
-79.2
m
692
-76.0
B
1005
-68.0
b
1180
-69.2
2500
-47.6

Trans
2/3Ga + Cl2 = 2/3GaCl3
m
M
B

T, K
0
303
351
575
2500

DGo , Kcal/mol
-84.4
-73.2
-71.4
-66.8
-60.2

o
Trans
T, K DG , Kcal/mol
1/2Zr + Cl2 = 1/2ZrCl40
-115.0
B
604
-94.0
m
2125
-75.0
2500
-69.6

o
Trans
T, K DG , Kcal/mol
2RbC + Cl2 = 2RbCl 0
-210.4
m
312
-195.9
b
952
-164.7
M
990
-161.6
B
1654
-112.7
2000
-105.0
o
Trans
T, K DG , Kcal/mol
2/3Cr + Cl2 = 2/3CrCl30
-87.6
B
1220
-44.4
m
2173
-42.8
b
2495
-42.0

Part-4

Part-5

Mo
1/3Mo + Cl2 = 1/3MoCl6
M
B

T, K DG , Kcal/mol
0
-29.2
580
-12.8
630
-11.6
1500
0.0

Re
2/3Re + Cl2 = 2/3ReCl3
M

H
2H + Cl2 = 2HCl

o
T, K DG , Kcal/mol
0
-45.0
2500
-52.3

As
2/3As + Cl2 = 2/3AsCl3
B
b

Sb
2/3Sb + Cl2 = 2/3SbCl3
M
B
m
b

o
T, K DG , Kcal/mol
0
-59.2
346
-50.4
492
-47.0
903
-44.4
1713
-36.0
2500
-14.0

Sn
1/2Sn + Cl2 = 1/2SnCl4
B
m
b

Ge
2/3Ge + Cl2 = 2/3GeCl3
B
m

o
T, K DG , Kcal/mol
0
-64.8
357
-55.2
1210
-40.6
2500
-15.2

Mn
2/3Mn + Cl2 = 2/3MnCl3
M
B
m
b

Fe
Fe + Cl2 = FeCl2
M
B
m

o
T, K DG , Kcal/mol
0
-80.4
950
-53.5
1285
-19.7
1809
-30.6
2500
-54.6

Cr
2/3Cr + Cl2 = 2/3CrCl3
B
m
b

Cd
Cd + Cl2 = CdCl2
m
M
b
B

o
T, K DG , Kcal/mol
0
-92.0
977
-72.0
1235
-62.4
1911
-57.0
2100
-48.0
2500
-18.0

Ti
1/2Ti + Cl2 = 1/2TiCl4
B
m

Hf
1/2Hf + Cl2 = 1/2HfCl4
B

o
T, K DG , Kcal/mol
0
-126.8
590
-106.8
2500
-82.0

Y
2/3Y + Cl2 = 2/3YCl3
M
B
m

Cs
2Cs + Cl2 = 2CsCl
m
M
b
B

o
T, K DG , Kcal/mol
0
-212.6
977
-198.0
1235
-164.0
1911
-163.0
2100
-127.0
2500
-108.0

Li
2Li + Cl2 = 2LiCl
m
M
b
B

Trans
2/3Ac + Cl2 = 2/3AcCl3
M
m
B

o
T, K DG , Kcal/mol
0
-162.0
1075
-128.4
1090
-128.0
2030
-101.6
2500
-97.6

Trans
Co + Cl2 = CoCl2
M
B
m

Trans
2/3Al + Cl2 = 2/3AlCl3
M
B
m

o
T, K DG , Kcal/mol
0
-110.9
465
-92.9
500
-91.7
932
-84.6

Trans
2Cu + Cl2 = 2CuCl
M
m
B

2273
2500

-70.2
-71.6

Trans
2/3Sb + Cl2 = 2/3SbCl3
M
B
m
b

o
T, K DG , Kcal/mol
0
-59.2
346
-50.4
492
-47.0
903
-44.4
1713
-36.0
2500
-14.0

Trans
2/3Ge + Cl2 = 2/3GeCl3
B
m

Trans
2/3As + Cl2 = 2/3AsCl3
B
b

o
T, K DG , Kcal/mol
0
-47.2
395
-35.2
886
-36.0
2500
-16.4

Trans
2Au + Cl2 = 2AuCl

Trans
Ba + Cl2 = BaCl2
m
M
b
B

o
T, K DG , Kcal/mol
0
-205.1
977
-169.2
1235
-160.6
1911
-140.0
2100
-132.4
2500
-124.0

Trans
1/2Hf + Cl2 = 1/2HfCl4
B

Trans
2/3Bi + Cl2 = 2/3BiCl3
M
m
B
b

o
T, K DG , Kcal/mol
0
-59.2
977
-44.4
1235
-43.2
1911
-40.0
2100
-28.4
2500
-13.2

Trans
2H + Cl2 = 2HCl

Trans
Cd + Cl2 = CdCl2
m
M
b
B

o
T, K DG , Kcal/mol
0
-92.0
977
-72.0
1235
-62.4
1911
-57.0
2100
-48.0
2500
-18.0

Trans
2/3In + Cl2 = 2/3InCl3
m
B
b

Trans
Ca + Cl2 = CaCl2
M
m
b
B

o
T, K DG , Kcal/mol
0
-188.8
977
-154.0
1235
-152.0
1911
-136.0
2100
-128.8
2500
-114.4

Trans
Ir + Cl2 = IrCl2
M

Trans
1/2C + Cl2 = 1/2CCl4

o
T, K DG , Kcal/mol
0
-12.3
2500
27.4

Trans
Fe + Cl2 = FeCl2
M
B
m

Trans
2CsC + Cl2 = 2CsCl
m
M
b
B

o
T, K DG , Kcal/mol
0
-212.6
977
-198.0
1235
-164.0
1911
-163.0
2100
-127.0
2500
-108.0

Trans
2/3Fe + Cl2 = 2/3FeCl3
M
B
m

Trans
2/3Ba + Cl2 = 2/3BaCl3
m

o
T, K DG , Kcal/mol
0
-62.8
2313
-44.4
2500
-42.8

Part-6
T, K
0
1000

DG , Kcal/mol
-35.9
3.7

T, K
0
395
886
2500

DGo , Kcal/mol
-47.2
-35.2
-36.0
-16.4

T, K
0
386
505
2473
2500

DGo , Kcal/mol
-63.4
-52.4
-50.4
-17.2
-16.8

o
Cu
T, K DG , Kcal/mol
2Cu + Cl2 = 2CuCl 0
-63.7
M
703
-46.9
m
1356
-41.2
B
1963
-36.5

T, K
0
860
900
1517
2309
2500

DGo , Kcal/mol
-73.5
-43.6
-42.8
-37.0
-26.4
-23.0

o
Pb
T, K DG , Kcal/mol
Pb + Cl2 = PbCl2 0
-83.2
m
601
-62.5
M
771
-58.6
B
1227
-47.6
b
2023
-48.4
2500
-42.4

T, K
0
1220
2173
2495

DGo , Kcal/mol
-87.6
-44.4
-42.8
-42.0

Zn
Zn + Cl2 = ZnCl2
M
m
B
b

T, K
0
409
1940
2500

DGo , Kcal/mol
-95.6
-84.8
-62.6
-54.0

o
P
T, K DG , Kcal/mol
2/5P + Cl2 = 2/5PCl5 0
-38.2
m
317
-30.6
b
553
-25.0
1000
-13.8

Hg
Hg + Cl2 = HgCl2
M
B
b

o
T, K DG , Kcal/mol
0
-53.4
550
-33.0
577
-30.8
630
-30.0
1800
0.0

o
T, K DG , Kcal/mol
0
-97.6
556
-79.2
692
-76.0
1005
-68.0
1180
-69.2
2500
-47.6

o
Na
T, K DG , Kcal/mol
2Na + Cl2 = 2NaCl 0
-196.8
m
371
-180.0
M
1073
-149.4
b
1156
-145.6
B
1738
-110.0
2500
.96.8

T, K
0
973
1725
1773
2500

DGo , Kcal/mol
-154.4
-124.6
-110.0
-109.6
-107.6

T, K
0
459
887
1597
1655
2500

DGo , Kcal/mol
-193.6
-177.6
-161.0
-141.2
-138.4
-118.4

K
2K + Cl2 = 2KCl
m
M
b
B

o
T, K DG , Kcal/mol
0
-209.4
336
-193.2
1031
-161.0
1043
-160.0
1680
-122.4
2500
-110.4

T, K
0
1000
1323
1768
2500

DGo , Kcal/mol
-76.0
-45.0
-39.6
-40.6
-39.2

T, K
0
703
1356
1963

DGo , Kcal/mol
-63.7
-46.9
-41.2
-36.5

T, K
0
357
1210
2500

DGo , Kcal/mol
-64.8
-55.2
-40.6
-15.2

T, K
0
1000

DGo , Kcal/mol
-13.8
-8.2

T, K
0
590
2500

DGo , Kcal/mol
-126.8
-106.8
-82.0

T, K
0
2500

DGo , Kcal/mol
-45.0
-52.3

T, K
0
430
771
2400
2500

DGo , Kcal/mol
-85.0
-71.4
-59.2
-59.2
-58.2

T, K
0
2500

DGo , Kcal/mol
-29.0
-4.0

T, K
0
950
1285
1809
2500

DGo , Kcal/mol
-80.4
-53.5
-19.7
-30.6
-54.6

T, K
0
577
592
1809
2500

DGo , Kcal/mol
-63.8
-46.4
-46.0
-30.0
-21.2

Fluoride Data
1

Part-1
Ir
1/2Ir + F2 = 1/2IrF4
M
B

RUN
o
T, K DG , Kcal/mol
0
-43.3
317
-34.4
326
-34.2
2100
0.0

RUN
Part-2
Se
1/3Se + F2 = 1/3SeF6
m
b

o
T, K DG , Kcal/mol
0
-82.0
491
-70.0
1000
-54.0
2000
-23.0

Au
2/3Au + F2 = 2/3AuF3
M
m
B

o
T, K DG , Kcal/mol
0
-66.0
850
-32.0
1336
-25.0
1475
-22.0
2500
-14.0

Ag
2Ag + F2 = 2AgF
M
m
B

o
T, K DG , Kcal/mol
0
-97.0
708
-77.0
1234
-73.0
1420
-70.0
2485
-104.0

C
1/2C + F2 = 1/2CF4

o
T, K DG , Kcal/mol
0
-81.2
2500
-36.0

P
2/3P + F2 = 2/3PF3
m
M

o
T, K DG , Kcal/mol
0
-113.4
317
-109.3
553
-106.1

Re
1/3Re + F2 = 1/3ReF6
M
B

o
T, K DG , Kcal/mol
0
-90.3
292
-83.4
307
-83.1
500
0.0

Cu
Cu + F2 = CuF2
M
m
B

o
T, K DG , Kcal/mol
0
-127.0
1200
-89.0
1356
-85.0
2000
-70.0
2500
-73.0

Te
1/3Te + F2 = 1/3TeF6
m
b

o
T, K DG , Kcal/mol
0
-105.0
723
-86.0
1267
-71.0
2400
-39.0

W
1/3W + F2 = 1/3WF6

o
T, K DG , Kcal/mol
0
-139.8
1000
-116.4

Sb
2/5Sb + F2 = 2/5SbF5
B
m
b

o
T, K DG , Kcal/mol
0
-122.0
423
-112.0
903
-104.0
1713
-93.0
2500
-74.0

Ni
Ni + F2 = NiF2
M

o
T, K DG , Kcal/mol
0
-156.5
1200
-113.6

Mo
1/3Mo + F2 = 1/3MoF6
B

o
T, K DG , Kcal/mol
0
-134.9
309
-128.0
2500
-85.0

U
1/3U + F2 = 1/3UF6
B
m

o
T, K DG , Kcal/mol
0
-166.3
329
-159.0
1405
-134.3

2500

-120.3

Bi
2/3Bi + F2 = 2/3BiF3
m
M
B
b

o
T, K DG , Kcal/mol
0
-143.0
544
-126.0
1000
-110.0
1300
-102.0
1900
-97.0
2500
-81.0

Ti
1/2Ti + F2 = 1/2TiF4
B
b

o
T, K DG , Kcal/mol
0
-185.0
557
-167.0
1940
-150.0
2500
-143.0

Cd
Cd + F2 = CdF2
m
b
M
B

o
T, K DG , Kcal/mol
0
-165.0
594
-142.0
1040
-125.0
1383
-107.0
2020
-73.0
2500
-62.0

Ce
1/2Ce + F2 = 1/2CeF4
m
M
B

o
T, K DG , Kcal/mol
0
-221.0
1040
-184.0
1250
-177.0
2000
-156.0
2500
-150.0

10

Nb
2/5Nb + F2 = 2/5NbF5
m
B

o
T, K DG , Kcal/mol
0
-173.7
351
-160.1
506
-156.4
2500
-113.7

Y
2/3Y + F2 = 2/3YF3
M
m
B

o
T, K DG , Kcal/mol
0
-264.6
1660
-208.0
1773
-207.0
2300
-194.0
2500
-194.0

11

B
2/3B + F2 = 2/3BF3
m

o
T, K DG , Kcal/mol
0
-183.0
2300
-160.0
2500
-158.0

La
2/3La + F2 = 2/3LaF3
m
M

o
T, K DG , Kcal/mol
0
-280.6
1153
-238.0
1800
-216.0
2500
-197.0

12

Li
2Li + F2 = 2LiF
m
M
B

o
T, K DG , Kcal/mol
0
-290.0
453
-271.0
1120
-240.0
1597
-216.0
1954
-194.0
2500
-179.0

13

14

15

16

17

18

19

Ac
2/3Ac + F2 = 2/3AcF3
m
M

o
T, K DG , Kcal/mol
0
-262.0
1090
-222.0
1600
-207.0
2500
-177.0

Ag
2Ag + F2 = 2AgF

o
T, K DG , Kcal/mol
0
-97.0

M
m
B

708
1234
1420
2485

-77.0
-73.0
-70.0
-104.0

Al
2/3Al + F2 = 2/3AlF3
m
M

o
T, K DG , Kcal/mol
0
-215.3
932
-181.0
1545
-156.0
2500
-157.0

As
2/5As + F2 = 2/5AsF5
B

o
T, K DG , Kcal/mol
0
-106.0
883
-86.0
2500
-46.0

Au
2/3Au + F2 = 2/3AuF3
M
m
B

o
T, K DG , Kcal/mol
0
-66.0
850
-32.0
1336
-25.0
1475
-22.0
2500
-14.0

B
2/3B + F2 = 2/3BF3
m

o
T, K DG , Kcal/mol
0
-183.0
2300
-160.0
2500
-158.0

Ba
Ba + F2 = BaF2
m
M
b
B

o
T, K DG , Kcal/mol
0
-284.0
977
-246.0
1593
-227.0
1911
-216.0
2473
-191.0

Be
2/3Be + F2 = 2/3BeF3
M
m
B

o
T, K DG , Kcal/mol
0
-220.0
1070
-175.0
1556
-157.0
1600
-156.0
2500
-146.0

Bi

o
T, K DG , Kcal/mol

2/3Bi + F2 = 2/3BiF3
m
M
B
b

0
544
1000
1300
1900
2500

-143.0
-126.0
-110.0
-102.0
-97.0
-81.0

10

C
1/2C + F2 = 1/2CF4

o
T, K DG , Kcal/mol
0
-81.2
2500
-36.0

11

Ca
Ca + F2 = CaF2

o
T, K DG , Kcal/mol
0
-288.0
1123
-245.0
1691
-224.0
1955
-222.0
2500
-186.0

12

Cd
Cd + F2 = CdF2
m
b
M
B

o
T, K DG , Kcal/mol
0
-165.0
594
-142.0
1040
-125.0
1383
-107.0
2020
-73.0
2500
-62.0

13

Ce
1/2Ce + F2 = 1/2CeF4
m
M
B

o
T, K DG , Kcal/mol
0
-221.0
1040
-184.0
1250
-177.0
2000
-156.0
2500
-150.0

14

Co
Co + F2 = CoF2
M

o
T, K DG , Kcal/mol
0
-158.0
1475
-108.2

15

Cr
2/3Cr + F2 = 2/3CrF3
M
B
m

o
T, K DG , Kcal/mol
206
-176.0
1373
-136.0
1700
-132.0
2173
-122.0
2500
-120.0

m
M
b

16

Cu
Cu + F2 = CuF2
M
m
B

o
T, K DG , Kcal/mol
0
-127.0
1200
-89.0
1356
-85.0
2000
-70.0
2500
-73.0

17

Fe
Fe + F2 = FeF2
M

o
T, K DG , Kcal/mol
0
-167.0
1375
-123.2

18

Ga
2/3Ga + F2 = 2/3GaF3
m
M

o
T, K DG , Kcal/mol
0
-170.9
303
-159.0
1225
-125.0
2500
-115.0

19

Ge
1/2Ge + F2 = 1/2GeF4
m

o
T, K DG , Kcal/mol
0
-140.0
1210
-120.0
2500
-94.0

20

H
2H + F2 = 2HF

o
T, K DG , Kcal/mol
0
-129.8
1287
-134.1

21

Hf
1/2Hf + F2 = 1/2HfF4
B

o
T, K DG , Kcal/mol
0
-217.0
1200
-173.0
2500
-160.0

22

Hg
Hg + F2 = HgF2
m
M
B

o
T, K DG , Kcal/mol
0
-94.0
630
-70.0
918
-54.0
920
-54.0
2500
-12.0

23

In
2/3In + F2 = 2/3InF3
m
M
B
b

o
T, K DG , Kcal/mol
0
-166.7
429
-152.0
1443
-117.0
1650
-114.0
2440
-109.0

24

Ir
1/2Ir + F2 = 1/2IrF4
M
B

o
T, K DG , Kcal/mol
0
-43.3
317
-34.4
326
-34.2
2100
0.0

25

K
2K + F2 = 2KF
m
M
b
B

o
T, K DG , Kcal/mol
0
-270.0
336
-253.0
1031
-214.0
1130
-209.0
1775
-166.0
2500
-150.0

26

La
2/3La + F2 = 2/3LaF3
m
M

o
T, K DG , Kcal/mol
0
-280.6
1153
-238.0
1800
-216.0
2500
-197.0

27

Li
2Li + F2 = 2LiF
m
M
B

o
T, K DG , Kcal/mol
0
-290.0
453
-271.0
1120
-240.0
1597
-216.0
1954
-194.0
2500
-179.0

28

Mg
Mg + F2 = MgF2
m
b
B

o
T, K DG , Kcal/mol
0
-263.0
923
-224.0
1393
-207.0
1536
-197.0
2500
-144.0

29

Mn
Mn + F2 = MnF2
M
m

o
T, K DG , Kcal/mol
0
-189.5
1129
-152.8
1517
-143.2

30

Mo
1/3Mo + F2 = 1/3MoF6
B

o
T, K DG , Kcal/mol
0
-134.9
309
-128.0
2500
-85.0

31

Na
2Na + F2 = 2NaF
m
M
b
B

o
T, K DG , Kcal/mol
0
-274.0
371
-255.0
1187
-214.0
1268
-209.0
1977
-156.0
2500
-150.0

32

Nb
2/5Nb + F2 = 2/5NbF5
m
B

o
T, K DG , Kcal/mol
0
-173.7
351
-160.1
506
-156.4
2500
-113.7

33

Ni
Ni + F2 = NiF2
M

o
T, K DG , Kcal/mol
0
-156.5
1200
-113.6

34

P
2/3P + F2 = 2/3PF3
m
M

o
T, K DG , Kcal/mol
0
-113.4
317
-109.3
553
-106.1

35

Pb
Pb + F2 = PbF2
m
M

o
T, K DG , Kcal/mol
0
-158.0
601
-137.8
1097
-121.2

36

Pt
2/5Pt + F2 = 2/5PtF5
M
B
m

o
T, K DG , Kcal/mol
0
-94.3
875
-65.4
1000
-62.3
2043
-47.3

37

Re
1/3Re + F2 = 1/3ReF6
M
B

o
T, K DG , Kcal/mol
0
-90.3
292
-83.4
307
-83.1
500
0.0

38

S
1/3S + F2 = 1/3SF6

o
T, K DG , Kcal/mol
0
-86.7
2000
-20.1

39

Sb
2/5Sb + F2 = 2/5SbF5
B
m
b

o
T, K DG , Kcal/mol
0
-122.0
423
-112.0
903
-104.0
1713
-93.0
2500
-74.0

40

Sc
2/3Sc + F2 = 2/3ScF3
M
B
m

o
T, K DG , Kcal/mol
0
-244.6
1500
-190.0
1800
-183.0
1811
-183.0
2500
-179.0

41

Se
1/3Se + F2 = 1/3SeF6
m
b

o
T, K DG , Kcal/mol
0
-82.0
491
-70.0
1000
-54.0
2000
-23.0

42

Si
1/2Si + F2 = 1/2SiF4
m

o
T, K DG , Kcal/mol
0
-185.4
1683
-157.0
2500
-141.0

43

Sn
1/2Sn + F2 = 1/2SnF4
m
M

o
T, K DG , Kcal/mol
0
-129.5
505
-111.0
720
-104.0

B
b

978
2473
2500

-96.0
-68.0
-68.0

44

Sr
Sr + F2 = Srf2
m
b
M

o
T, K DG , Kcal/mol
0
-288.0
1043
-248.0
1640
-228.0
1673
-227.0
2500
-186.0

45

Ta
2/5Ta + F2 = 2/5TaF5
M
B

o
T, K DG , Kcal/mol
0
-144.4
370
-133.5
502
-130.7
2500
-108.4

46

Te
1/3Te + F2 = 1/3TeF6
m
b

o
T, K DG , Kcal/mol
0
-105.0
723
-86.0
1267
-71.0
2400
-39.0

47

Th
1/2Th + F2 = 1/2ThF4
M
m
B

o
T, K DG , Kcal/mol
0
-238.5
1330
-189.0
1968
-173.0
2000
-172.0
2500
-164.0

48

Ti
1/2Ti + F2 = 1/2TiF4
B
b

o
T, K DG , Kcal/mol
0
-185.0
557
-167.0
1940
-150.0
2500
-143.0

49

Tl
2Tl + F2 = 2TlF
m
M

o
T, K DG , Kcal/mol
0
-129.0
577
-110.0
600
-109.0
928
-100.0
1730
-116.0
2500
-98.0

U
1/3U + F2 = 1/3UF6
B

o
T, K DG , Kcal/mol
0
-166.3
329
-159.0

B
b

50

1405
2500

-134.3
-120.3

51

V
2/3V + F2 = 2/3VF3
M

o
T, K DG , Kcal/mol
0
-190.0
1400
-137.5

52

W
1/3W + F2 = 1/3WF6

o
T, K DG , Kcal/mol
0
-139.8
1000
-116.4

53

Y
2/3Y + F2 = 2/3YF3
M
m
B

o
T, K DG , Kcal/mol
0
-264.6
1660
-208.0
1773
-207.0
2300
-194.0
2500
-194.0

54

Zn
Zn + F2 = ZnF2
m
M
b
B

o
T, K DG , Kcal/mol
0
-174.0
693
-148.0
1145
-130.0
1180
-129.0
1775
-96.0
2500
-75.0

55

Zr
1/2Zr + F2 = 1/2ZrF4
B
m

o
T, K DG , Kcal/mol
0
-222.5
1176
-182.0
2125
-175.0
2500
-171.0

56

57

58

59

60

61

62

63

64

65

RUN
Part-3
S
1/3S + F2 = 1/3SF6

o
T, K DG , Kcal/mol
0
-86.7
2000
-20.1

Part-4
Pt
2/5Pt + F2 = 2/5PtF5
M
B
m

T, K
0
875
1000
2043

Hg
Hg + F2 = HgF2
m
M
B

o
T, K DG , Kcal/mol
0
-94.0
630
-70.0
918
-54.0
920
-54.0
2500
-12.0

Sn
1/2Sn + F2 = 1/2SnF4
m
M
B
b

T, K
0
505
720
978
2473
2500

As
2/5As + F2 = 2/5AsF5
B

o
T, K DG , Kcal/mol
0
-106.0
883
-86.0
2500
-46.0

Ta
2/5Ta + F2 = 2/5TaF5
M
B

T, K
0
370
502
2500

Tl
2Tl + F2 = 2TlF
m
M
B
b

o
T, K DG , Kcal/mol
0
-129.0
577
-110.0
600
-109.0
928
-100.0
1730
-116.0
2500
-98.0

Pb
Pb + F2 = PbF2
m
M

T, K
0
601
1097

Ge
1/2Ge + F2 = 1/2GeF4
m

o
T, K DG , Kcal/mol
0
-140.0
1210
-120.0
2500
-94.0

Fe
Fe + F2 = FeF2
M

T, K
0
1375

Co
Co + F2 = CoF2
M

o
T, K DG , Kcal/mol
0
-158.0
1475
-108.2

Cr
2/3Cr + F2 = 2/3CrF3
M
B
m

T, K
206
1373
1700
2173
2500

Ga
2/3Ga + F2 = 2/3GaF3
m
M

o
T, K DG , Kcal/mol
0
-170.9
303
-159.0
1225
-125.0

V
2/3V + F2 = 2/3VF3
M

T, K
0
1400

2500

-115.0

Si
1/2Si + F2 = 1/2SiF4
m

o
T, K DG , Kcal/mol
0
-185.4
1683
-157.0
2500
-141.0

Hf
1/2Hf + F2 = 1/2HfF4
B

T, K
0
1200
2500

Be
2/3Be + F2 = 2/3BeF3
M
m
B

o
T, K DG , Kcal/mol
0
-220.0
1070
-175.0
1556
-157.0
1600
-156.0
2500
-146.0

Sc
2/3Sc + F2 = 2/3ScF3
M
B
m

T, K
0
1500
1800
1811
2500

Mg
Mg + F2 = MgF2
m
b
B

o
T, K DG , Kcal/mol
0
-263.0
923
-224.0
1393
-207.0
1536
-197.0
2500
-144.0

K
2K + F2 = 2KF
m
M
b
B

T, K
0
336
1031
1130
1775
2500

Ba
Ba + F2 = BaF2
m
M
b
B

o
T, K DG , Kcal/mol
0
-284.0
977
-246.0
1593
-227.0
1911
-216.0
2473
-191.0

Sr
Sr + F2 = Srf2
m
b
M

T, K
0
1043
1640
1673
2500

RUN
DGo , Kcal/mol
-94.3
-65.4
-62.3
-47.3

Part-5
H
2H + F2 = 2HF

o
T, K DG , Kcal/mol
0
-129.8
1287
-134.1

DGo , Kcal/mol
-129.5
-111.0
-104.0
-96.0
-68.0
-68.0

In
2/3In + F2 = 2/3InF3
m
M
B
b

o
T, K DG , Kcal/mol
0
-166.7
429
-152.0
1443
-117.0
1650
-114.0
2440
-109.0

DGo , Kcal/mol
-144.4
-133.5
-130.7
-108.4

Zn
Zn + F2 = ZnF2
m
M
b
B

o
T, K DG , Kcal/mol
0
-174.0
693
-148.0
1145
-130.0
1180
-129.0
1775
-96.0
2500
-75.0

DGo , Kcal/mol
-158.0
-137.8
-121.2

Mn
Mn + F2 = MnF2
M
m

o
T, K DG , Kcal/mol
0
-189.5
1129
-152.8
1517
-143.2

DGo , Kcal/mol
-167.0
-123.2

Al
2/3Al + F2 = 2/3AlF3
m
M

o
T, K DG , Kcal/mol
0
-215.3
932
-181.0
1545
-156.0
2500
-157.0

DGo , Kcal/mol
-176.0
-136.0
-132.0
-122.0
-120.0

o
Zr
T, K DG , Kcal/mol
1/2Zr + F2 = 1/2ZrF4
0
-222.5
B
1176
-182.0
m
2125
-175.0
2500
-171.0

DGo , Kcal/mol
-190.0
-137.5

o
Th
T, K DG , Kcal/mol
1/2Th + F2 = 1/2ThF4
0
-238.5
M
1330
-189.0
m
1968
-173.0

DGo , Kcal/mol
-217.0
-173.0
-160.0

2000
2500

-172.0
-164.0

o
Ac
T, K DG , Kcal/mol
2/3Ac + F2 = 2/3AcF3
0
-262.0
m
1090
-222.0
M
1600
-207.0
2500
-177.0

DGo , Kcal/mol
-244.6
-190.0
-183.0
-183.0
-179.0

Na
2Na + F2 = 2NaF
m
M
b
B

o
T, K DG , Kcal/mol
0
-274.0
371
-255.0
1187
-214.0
1268
-209.0
1977
-156.0
2500
-150.0

DGo , Kcal/mol
-270.0
-253.0
-214.0
-209.0
-166.0
-150.0

Ca
Ca + F2 = CaF2
m
M
b

o
T, K DG , Kcal/mol
0
-288.0
1123
-245.0
1691
-224.0
1955
-222.0
2500
-186.0

DGo , Kcal/mol
-288.0
-248.0
-228.0
-227.0
-186.0

Hydride Data
Part-1
1

I
2I + H2 = 2IH

RUN

Part-2

T, K DG , Kcal/mol
0
-3.1
1550
-8.6

N
2/3N + H2 = 2/3NH3

o
T, K DG , Kcal/mol
0
-8.0
439
0.0

Mg
Mg + H2 = MgH2

o
T, K DG , Kcal/mol
0
-17.6
554
0.0

Br
2Br + H2 = 2BrH

o
T, K DG , Kcal/mol
0
-25.6
1700
-31.0

Cs
2Cs + H2 = 2CsH

o
T, K DG , Kcal/mol
0
-26.2
302
-14.8
661
0.0

Na
2Na + H2 = 2NaH
m
M

o
T, K DG , Kcal/mol
0
-27.1
371
-13.4
900
-7.9

Ca
Ca + H2 = CaH2
m

o
T, K DG , Kcal/mol
0
-42.0
713
-19.8
1067
0.0

Ba
Ba + H2 = BaH2
m

o
T, K DG , Kcal/mol
0
-40.9
983
-10.1
1286
0.0

Li
2Li + H2 = 2LiH
m
M

o
T, K DG , Kcal/mol
0
-43.6
454
-27.4
962
-7.1
1217
0.0

Cl
2Cl + H2 = 2ClH

o
T, K DG , Kcal/mol
0
-45.0
1700
-49.9

10

11

12

13

14

15

16

17

18

19

As
2/3As + H2 = 2/3AsH3
b

o
T, K DG , Kcal/mol
0
9.7
886
13.0
1630
21.0

B
2/3B + H2 = 2/3BH3

o
T, K DG , Kcal/mol
0
1.5
1700
29.6

Ba
Ba + H2 = BaH2
m

o
T, K DG , Kcal/mol
0
-40.9
983
-10.1
1286
0.0

Be
Be + H2 = BeH2

o
T, K DG , Kcal/mol
0
1.0
500
13.6

Br
2Br + H2 = 2BrH

o
T, K DG , Kcal/mol
0
-25.6
1700
-31.0

C
1/2C + H2 = 1/2CH4

o
T, K DG , Kcal/mol
0
-9.6
1417
0.0

o
T, K DG , Kcal/mol

2C + H2 = C2H2

0
1700

Ca
Ca + H2 = CaH2
m

o
T, K DG , Kcal/mol
0
-42.0
713
-19.8
1067
0.0

Cl
2Cl + H2 = 2ClH

o
T, K DG , Kcal/mol
0
-45.0
1700
-49.9

10

Cs
2Cs + H2 = 2CsH

o
T, K DG , Kcal/mol
0
-26.2
302
-14.8
661
0.0

11

F
2F + H2 = 2FH

o
T, K DG , Kcal/mol
0
-129.8
1287
-134.1

12

Ge
1/2Ge + H2 = 1/2GeH4

o
T, K DG , Kcal/mol
0
10.0
1210
23.8
1700
27.2

13

o
T, K DG , Kcal/mol
0
-3.1
1550
-8.6

2I + H2 = 2IH

53.7
31.6

14

K
2K + H2 = 2KH
m
M

15

Li
2Li + H2 = 2LiH
m
M

o
T, K DG , Kcal/mol
0
-27.7
336
-13.4
701
0.0

o
T, K DG , Kcal/mol
0
-43.6
454
-27.4
962
-7.1
1217
0.0

16

Mg
Mg + H2 = MgH2

o
T, K DG , Kcal/mol
0
-17.6
554
0.0

17

N
2/3N + H2 = 2/3NH3

o
T, K DG , Kcal/mol
0
-8.0
439
0.0

18

N
2N + H2 = N2H2

o
T, K DG , Kcal/mol
0
10.7
1500
51.7

19

Na
2Na + H2 = 2NaH
m
M

o
T, K DG , Kcal/mol
0
-27.1
371
-13.4
900
-7.9

20

P
2/3P + H2 = 2/3PH3
b

o
T, K DG , Kcal/mol
0
3.0
704
5.3
1540
14.9

21

Pb
1/2Pb + H2 = 1/2PbH4
m

o
T, K DG , Kcal/mol
0
29.6
601
36.8
1700
52.6

22

Rb
2Rb + H2 = 2RbH
m

o
T, K DG , Kcal/mol
0
-25.0
312
-13.3
627
0.0

23

Sb
2/3Sb + H2 = 2/3SbH3
m

o
T, K DG , Kcal/mol
0
22.4
903
25.6
1700
32.3

24

Si
1/2Si + H2 = 1/2SiH4
m

o
T, K DG , Kcal/mol
0
2.7
1683
21.7
1700
21.9

25

Sn
1/2Sn + H2 = 1/2SnH4
m

o
T, K DG , Kcal/mol
0
19.1
505
24.8
1700
42.2

26

Sr
Sr + H2 = SrH2
m

o
T, K DG , Kcal/mol
0
-42.3
1043
-9.6
1330
0.0

H
H2

o
T, K DG , Kcal/mol
0
-59.6
1700
-36.4

27

Part-3
C
1/2C + H2 = 1/2CH4

Part-4

T, K DG , Kcal/mol
0
-9.6
1417
0.0

Pb
1/2Pb + H2 = 1/2PbH4
m

o
T, K DG , Kcal/mol
0
29.6
601
36.8
1700
52.6

Rb
2Rb + H2 = 2RbH
m

T, K
0
312
627

DGo , Kcal/mol
-25.0
-13.3
0.0

Sn
1/2Sn + H2 = 1/2SnH4
m

o
T, K DG , Kcal/mol
0
19.1
505
24.8
1700
42.2

K
2K + H2 = 2KH
m
M

T, K
0
336
701

DGo , Kcal/mol
-27.7
-13.4
0.0

Ge
1/2Ge + H2 = 1/2GeH4

o
T, K DG , Kcal/mol
0
10.0
1210
23.8
1700
27.2

Sr
Sr + H2 = SrH2
m

o
T, K DG , Kcal/mol
0
-42.3
1043
-9.6
1330
0.0

P
2/3P + H2 = 2/3PH3
b

o
T, K DG , Kcal/mol
0
3.0
704
5.3
1540
14.9

F
2F + H2 = 2FH

o
T, K DG , Kcal/mol
0
-129.8
1287
-134.1

B
2/3B + H2 = 2/3BH3

o
T, K DG , Kcal/mol
0
1.5
1700
29.6

Part-5

C
2C + H2 = C2H2

o
T, K DG , Kcal/mol
0
53.7
1700
31.6

Sb
2/3Sb + H2 = 2/3SbH3
m

o
T, K DG , Kcal/mol
0
22.4
903
25.6
1700
32.3

N
2N + H2 = N2H2

o
T, K DG , Kcal/mol
0
10.7
1500
51.7

As
2/3As + H2 = 2/3AsH3
b

o
T, K DG , Kcal/mol
0
9.7
886
13.0
1630
21.0

Si
1/2Si + H2 = 1/2SiH4
m

o
T, K DG , Kcal/mol
0
2.7
1683
21.7
1700
21.9

Be
Be + H2 = BeH2

o
T, K DG , Kcal/mol
0
1.0
500
13.6

Iodide Data

RUN
Part-1

Part-2

H
2H + I2 = 2HI

T, K DG , Kcal/mol
0
-3.1
1550
-8.6

Fe
Fe + I2 = FeI2
M
B

o
T, K DG , Kcal/mol
0
-26.5
860
-17.1
1366
-12.0

Hg
Hg + I2 = HgI2
M
B
b

o
T, K DG , Kcal/mol
0
-38.7
530
-20.8
627
-18.6
630
-18.5
1460
0.0

Ti
1/2Ti + I2 = 1/2TiI4
M
B

o
T, K DG , Kcal/mol
0
-58.7
428
-44.8
650
-40.6
1550
-25.1

Pb
Pb + I2 = PbI2
m
M
B

o
T, K DG , Kcal/mol
0
-55.9
601
-35.8
680
-33.0
1135
-21.2
1550
-23.9

Be
Be + I2 = BeI2
B
m

o
T, K DG , Kcal/mol
0
-63.3
755
-39.6
1556
-44.1

Al
2/3Al + I2 = 2/3AlI3

o
T, K DG , Kcal/mol
0
-60.7
464
-48.5
558
-45.8
932
-39.2
1550
-32.0

Li
2Li + I2 = 2LiI
m
M
B

o
T, K DG , Kcal/mol
0
-143.6
454
-126.2
742
-113.8
1415
-95.5
1550
-97.0

Zr
1/2Zr + I2 = 1/2ZrI4
m

o
T, K DG , Kcal/mol
0
-71.7
704
-48.0
1550
-36.6

K
2K + I2 = 2KI
m
M
b
B

o
T, K DG , Kcal/mol
0
-169.1
336
-156.5
954
-131.8
1031
-128.2
1617
-93.0

Na
2Na + I2 = 2NaI
m
M
b
B

o
T, K DG , Kcal/mol
0
-154.3
371
-139.0
933
-113.8
1156
-109.2
1577
-83.2

10

11

12

13

14

15

16

17

18

19

Al
2/3Al + I2 = 2/3AlI3

o
T, K DG , Kcal/mol
0
-60.7
464
-48.5
558
-45.8
932
-39.2
1550
-32.0

Be
Be + I2 = BeI2
B
m

o
T, K DG , Kcal/mol
0
-63.3
755
-39.6
1556
-44.1

Fe
Fe + I2 = FeI2
M
B

o
T, K DG , Kcal/mol
0
-26.5
860
-17.1
1366
-12.0

H
2H + I2 = 2HI

o
T, K DG , Kcal/mol
0
-3.1
1550
-8.6

Hg
Hg + I2 = HgI2
M
B
b

o
T, K DG , Kcal/mol
0
-38.7
530
-20.8
627
-18.6
630
-18.5
1460
0.0

K
2K + I2 = 2KI
m
M
b
B

o
T, K DG , Kcal/mol
0
-169.1
336
-156.5
954
-131.8
1031
-128.2
1617
-93.0

Li

T, K

DGo , Kcal/mol

2Li + I2 = 2LiI
m
M
B

0
454
742
1415
1550

-143.6
-126.2
-113.8
-95.5
-97.0

Na
2Na + I2 = 2NaI
m
M
b
B

o
T, K DG , Kcal/mol
0
-154.3
371
-139.0
933
-113.8
1156
-109.2
1577
-83.2

Pb
Pb + I2 = PbI2
m
M
B

o
T, K DG , Kcal/mol
0
-55.9
601
-35.8
680
-33.0
1135
-21.2
1550
-23.9

10

Ti
1/2Ti + I2 = 1/2TiI4
M
B

o
T, K DG , Kcal/mol
0
-58.7
428
-44.8
650
-40.6
1550
-25.1

11

Zr
1/2Zr + I2 = 1/2ZrI4
m

o
T, K DG , Kcal/mol
0
-71.7
704
-48.0
1550
-36.6

12

13

Trans
I2
m

T, K
0
312

DGo , Kcal/mol
13.7
1.5

14

627

0.0

Nitride Data

RUN

RUN

Part-1
1

Part-2

Fe
8Fe + N2 = 2Fe4N

T, K

Mo
4Mo + N2 = 2Mo2N

T, K

Cr
2Cr + N2 = 2CrN
m

T, K

Si
Si + N2 = 1/2Si2N4
m

T, K

Nb
4Nb + N2 = 2Nb2N

T, K

B
2B + N2 = 2BN
m

T, K

DGo , Kcal/mol
0
-5.8
237
0.0

N
T, K
2/3N + N2 = 2/3NH3

DGo , Kcal/mol
0
-31.9
1150
0.0

Cr
4Cr + N2 = 2Cr2N

T, K

DGo , Kcal/mol
0
-51.0
1526
0.0

V
2V + N2 = 2VN

T, K

DGo , Kcal/mol
0
-90.0
1680
-22.5
2130
0.0

Mg
3Mg + N2 = Mg3N2
m
b

T, K

DGo , Kcal/mol
0
-113.4
600
-86.4

Ta
2Ta + N2 = 2TaN

T, K

DGo , Kcal/mol
0
-121.4
2300
-20.8
2720
0.0

Ca
3Ca + N2 = Ca3N2
m
M
b

T, K

0
441

0
1834

0
2099

0
923
1376

0
2500

0
1123
1468
1765
1860

10

11

12

13

Al
2Al + N2 = 2AlN
m
b

T, K

Ti
2Ti + N2 = 2TiN
m

T, K

DGo , Kcal/mol
0
-144.3
932
-101.0
2736
-10.8

Ce
2Ce + N2 = 2CeN
m

T, K

DGo , Kcal/mol
0
-160.5
1940
-73.4

Zr
2Zr + N2 = 2ZrN

T, K

0
1077
2500

0
2128

14

15

16

17

18

19

Al
2Al + N2 = 2AlN
m
b

o
T, K DG , Kcal/mol
0
-144.3
932
-101.0
2736
-10.8

B
2B + N2 = 2BN
m

o
T, K DG , Kcal/mol
0
-121.4
2300
-20.8
2720
0.0

Ca
3Ca + N2 = Ca3N2
m
M
b

o
T, K DG , Kcal/mol
0
-121.4
1123
-48.4
1468
-29.7
1765
-12.1
1860
0.0

Ce
2Ce + N2 = 2CeN
m

o
T, K DG , Kcal/mol
0
-155.8
1077
-102.2
2500
-24.4

Cr
4Cr + N2 = 2Cr2N

o
T, K DG , Kcal/mol
0
-44.0
1834
0.0

Cr
2Cr + N2 = 2CrN
m

o
T, K DG , Kcal/mol
0
-51.0
1526
0.0

Fe
8Fe + N2 = 2Fe4N

o
T, K DG , Kcal/mol
0
-5.8
237
0.0

Mg
3Mg + N2 = Mg3N2
m
b

o
T, K DG , Kcal/mol
0
-109.6
923
-65.8
1376
-41.3

Mo
4Mo + N2 = 2Mo2N

o
T, K DG , Kcal/mol
0
-31.9
1150
0.0

10

N
2/3N + N2 = 2/3NH3

o
T, K DG , Kcal/mol
0
-24.1
441
0.0

11

Nb
4Nb + N2 = 2Nb2N

o
T, K DG , Kcal/mol
0
-113.4
600
-86.4

12

Si
Si + N2 = 1/2Si2N4
m

o
T, K DG , Kcal/mol
0
-90.0
1680
-22.5
2130
0.0

13

Ta

o
T, K DG , Kcal/mol

2Ta + N2 = 2TaN

0
2500

-115.2
-18.5

14

Ti
2Ti + N2 = 2TiN
m

o
T, K DG , Kcal/mol
0
-160.5
1940
-73.4

15

V
2V + N2 = 2VN

o
T, K DG , Kcal/mol
0
-83.3
2099
0.0

16

Zr
2Zr + N2 = 2ZrN

o
T, K DG , Kcal/mol
0
-163.8
2128
-67.2

DGo , Kcal/mol
-24.1
0.0

DGo , Kcal/mol
-44.0
0.0

DGo , Kcal/mol
-83.3
0.0

DGo , Kcal/mol
-109.6
-65.8
-41.3

DGo , Kcal/mol
-115.2
-18.5

DGo , Kcal/mol
-121.4
-48.4
-29.7
-12.1
0.0

DGo , Kcal/mol
-155.8
-102.2
-24.4

DGo , Kcal/mol
-163.8
-67.2

Bi
3/2Bi + O2 = 1/2Bi3O4
M

o
T, K DG , Kcal/mol
0
-103.6
1098
-48.5
1400
-33.3

9
-8

Bi
4Bi3O4+O2 = 6Bi2O3
M

o
T, K DG , Kcal/mol
0
0.8
1098
-8.3
1400
-14.2

Bi
4/3Bi +O2 = 2/3Bi2O3
M
b

o
T, K DG , Kcal/mol
0
-92.0
1098
-44.0
1400
-31.2
1852
-12.0

Ce
4/3Ce +O2 = 2/3Ce2O3
m

o
T, K DG , Kcal/mol
0
-285.7
1077
-237.0

Ce
2Ce2O3 + O2 = 4CeO2

o
T, K DG , Kcal/mol
0
-180.9
1077
-109.4

Ce
Ce + O2 = CeO2
m

o
T, K DG , Kcal/mol
0
-259.5
1077
-205.1

Cr

T, K

DGo , Kcal/mol

-3
4

4/3Cr +O2 = 2/3Cr2O3


m
b
M

0
1660
2176
2495
2603

-178.5
-111.0
-90.0
-77.5
-75.5

Cr
2Cr2O3 + O2 = 4CrO2
M

o
T, K DG , Kcal/mol
0
-26.5
1660
41.0

Cr
Cr + O2 = CrO2
M

o
T, K DG , Kcal/mol
0
-140.5
1660
-73.0

Cu
4Cu+O2=2Cu2O
m
M

o
T, K DG , Kcal/mol
0
-80.0
1357
-33.0
1509
-28.0
1609
2500
-9.5

Cu
2Cu2O+O2=4CuO

o
T, K DG , Kcal/mol
0
-69.0
1357
1.0
1509
3.8
1609
7.1

Cu
2Cu+O2=2CuO
m

o
T, K DG , Kcal/mol
0
-74.5
1357
-16.0
1509
1609
-9.5
1870
0.0

Eu
2Eu + O2 = 2EuO
m

o
T, K DG , Kcal/mol
0
-290.4
1090
-245.0

Eu
4EuO +O2 = 2Eu2O3

o
T, K DG , Kcal/mol
0
-199.5
1090
-136.1

Eu
4/3Eu +O2 = 2/3Eu2O3
m

o
T, K DG , Kcal/mol
0
-260.1
1090
-208.7

Trans
Fe3O4/FeO
m
M

o
T, K DG , Kcal/mol
0
-130.4
1809
-62.8
1867
-60.3

Trans
FeO/Fe
M
m

Trans
FeO/Fe
M
m

o
T, K DG , Kcal/mol
0
-142.1
1642
-75.0
1809
-71.9
2000
-67.9

Trans
Fe2O3
m

Trans
Fe2O3
m

o
T, K DG , Kcal/mol
0
-129.2
1809
-55.5

Trans
Fe/Fe3O4
m
M

Mn
2Mn + O2 = 2MnO
m
M
b

o
T, K DG , Kcal/mol
0
-184.0
1517
-130.0
2054
-108.0
2309
-99.0

2500

-89.5

Mn
4MnO + O2 = 2Mn2O3

o
T, K DG , Kcal/mol
0
-95.5
1517
-19.0

Mn
4/3Mn + O2 = 2/3Mn2O3
m

o
T, K DG , Kcal/mol
0
-154.5
1517
-93.0
1620
-88.5
1120
-109.1

Mn
2Mn2O3 + O2 = 4MnO2

o
T, K DG , Kcal/mol
0
-36.5
1120
43.3

Mn
Mn + O2 = MnO2

o
T, K DG , Kcal/mol
0
-125.0
1120
-71.0

Nb
2Nb + O2 = 2NbO

o
T, K DG , Kcal/mol
0
-192.0
1764
-125.2
2218
-108.0
3043
-77.0

M
m

4NbO + O2 = 2Nb2O3
M

o
T, K DG , Kcal/mol
0
-159.0
1764
-85.6

Nb
4/3Nb + O2 = 2/3Nb2O3
M

o
T, K DG , Kcal/mol
0
-181.0
1764
-112.0

Nb
2Nb2O3 + O2 = 4NbO2
m

o
T, K DG , Kcal/mol
0
-209.0
1764
-163.3

Nb
Nb + O2 = NbO2

m
M

o
T, K DG , Kcal/mol
0
-188.0
1764
-124.8
2218
-108.6
3043
-79.0
3183
-73.9

Tb
4/3Tb + O2 = 2/3Tb2O3
m

o
T, K DG , Kcal/mol
0
-295.6
1638
-224.1

Tb
4.762Tb2O3 + O2 = 9.524TbO1.71

o
T, K DG , Kcal/mol
0
-47.3
1638
39.5

Tb
1.17Tb + O2 = 1.17TbO1.709
m

o
T, K DG , Kcal/mol
0
-265.2
1638
-191.8

Ti

o
T, K DG , Kcal/mol

2Ti + O2 = 2TiO
m
M

Ti
4TiO + O2 = 2Ti2O3
m
M

Ti
4/3Ti + O2 = 2/3Ti2O3
m

Ti
6Ti2O3 + O2 = 4Ti3O5

M
m

Ti
6/5Ti + O2 = 2/5Ti3O5
m

0
1940
2033
2128
2150
2500

-247.5
-161.0
-159.0
-155.6
-154.9
-142.5

o
T, K DG , Kcal/mol
0
-231.0
1940
-152.0
2033
-147.4
2128
-145.3
2150
-144.8

o
T, K DG , Kcal/mol
0
-242.0
1940
-158.0
2033
-155.1
2128
-152.2
2150
-151.5

o
T, K DG , Kcal/mol
0
-192.0
1940
-108.0
2033
-100.2
2128
-92.2
2150
-90.3

o
T, K DG , Kcal/mol
0
-237.0
1940
-153.0
2033
-149.6
2128
-146.2
2150
-145.4
2450
-134.5
2500
-133.0

M
m

o
T, K DG , Kcal/mol
0
-168.0
1940
-90.0
2033
-83.1
2128
-76.1
2150
-75.5
2450
-67.0
2500
-64.0

Ti
Ti + O2 = TiO2
m

o
T, K DG , Kcal/mol
0
-225.5
1940
-142.5

Ti
2Ti3O5 + O2 = 6TiO2

Tl
4Tl + O2 = 2Tl2O
M
m
B

b
Tl
Tl2O + O2 = Tl2O3
m
b
M

Tl
4/3Ti + O2 = 2/3Tl2O3
m
M

V
2V + O2 = 2VO
m
M

V
4VO + O2 = 2V2O3
M

V
4/3V + O2 = 2/3V2O3
m
M

2033
2128
2150
2450
2500

-138.5
-134.5
-133.7
-123.2
-121.5

o
T, K DG , Kcal/mol
0
-69.0
573
-52.0
577
-51.0
773
-43.0
990
-40.1
1200
-37.4
1760
-30.0
o
T, K DG , Kcal/mol
0
-49.5
573
-13.3
577
-13.5
773
-5.4
990
6.6
1200
18.7
1760
15.0
o
T, K DG , Kcal/mol
0
-56.0
573
-26.2
577
-26.0
773
-17.9
990
-9.0
1200
0.0
o
T, K DG , Kcal/mol
0
-198.2
2190
-116.5
2240
-112.4
2350
-103.5
2500
-95.0

o
T, K DG , Kcal/mol
0
-192.2
2190
-96.1
2240
-100.6

o
T, K DG , Kcal/mol
0
-196.2
1818
-124.4
2190
-109.7
2240
-108.5

V
2V2O3 + O2 = 4VO2

M
m
V
V + O2 = VO2
M
m

V
4VO2 + O2 = 2V2O5
M

V
4/5V + O2 = 2/5V2O5
M
m

o
T, K DG , Kcal/mol
0
-83.4
1610
-33.3

1818
2190
2240

-26.8
-54.9
-48.8

o
T, K DG , Kcal/mol
0
-168.0
943
-132.7
1818
-100.0
2190
-96.0
2240
-93.6
2500
-81.0
o
T, K DG , Kcal/mol
0
-75.5
943
-19.1
1610
-33.3

1818
2190

-37.7
-6.0

o
T, K DG , Kcal/mol
0
-149.5
943
-110.0
1818
-87.5
2190
-78.0

Ge
Ge + O2 = GeO2
m
M

T, K

Ge
2Ge + O2 = 2GeO(g)
m

T, K

0
1210
1389
2500

DGo , Kcal/mol
-129.0
-73.0
-64.0
-19.0

DGo , Kcal/mol
0
-16.0
1210
-67.4
2000
-85.3

4/3Bi +O2 = 2/3Bi2O3


3/2Bi + O2 = 1/2Bi3O4

Bi
12
-12

O2
9
-8

O2
-3
4

-2
4

4Bi3O4+O2 = 6Bi2O3

4/3Ce +O2 = 2/3Ce2O3


Ce + O2 = CeO2

2Ce2O3 + O2 = 4CeO2

same as Ce

Ce
-4
4

6
-4

T, K

T, K

DGo , Kcal/mol
0
-142.1
1642
-75.0
1809
-71.9
2000
-67.9

DGo , Kcal/mol
0
-129.2
1809
-55.5

2Fe+O2=2FeO

4/3Fe+O2=2/3Fe2O3

6FeO+O2=2Fe3O4
0

T, K

DGo , Kcal/mol
0
-130.4
1642
-69.0
1809
-62.8
1867
-60.3

1.5Fe+O2=0.5Fe3O4

4Fe3O4+O2=6Fe2O3

-95.3

m
M

T, K
0
943
1818
2190
2240

DGo , Kcal/mol
-196.2
-159.0
-124.4
-109.7
-108.5

V
V2O3 + O2 = V2O5
M

T, K
1610
1818

DGo , Kcal/mol
-33.3
-32.3

V
4/3V + O2 = 2/3V2O3

m
V
4/5V + O2 = 2/5V2O5
M
m

0
943
2190
2240
T, K
0
943
1818
2190

-79.5
-36.6
-30.5
162.8
DGo , Kcal/mol
-149.5
-110.0
-87.5
-78.0

Oxide Data

RUN
Part-1

Bi
4Bi3O4+O2 = 6Bi2O3
M

T, K

Ag
4Ag + O2 = 2Ag2O

T, K

Pt
3/2Pt + O2 = 1/2Pt3O4

T, K

Tl
Tl2O + O2 = Tl2O3
m

T, K

b
M

Part-2

Se
Se + O2 = SeO2
m
M
b

Tl
4Tl + O2 = 2Tl2O
M
m
B
b

0
1098
1400

DG , Kcal/mol
0.8
-8.3
-14.2
o

Mn
T, K
2Mn2O3 + O2 = 4MnO2
0
1120

DGo , Kcal/mol
0
-14.0
480
0.0

Cu
Cu2O + O2 = 2CuO
m
M

T, K

DGo , Kcal/mol
0
-32.0
734
0.0

Cu
4Cu + O2 = 2Cu2O
m
M

T, K

0
573
577
773
990
1200
1760
T, K
0
491
603
952
2250

T, K
0
573
577
773
1760
2000

0
1509
1609

0
1357
1509
2500

DGo , Kcal/mol
-49.5
-13.3
-13.5
-5.4
6.6
18.7
15.0

Mn
4MnO + O2 = 2Mn2O3

DGo , Kcal/mol
-54.0
-33.0
-28.0
-27.0
0.0

Ni
2Ni + O2 = 2NiO
m
M

T, K

DGo , Kcal/mol
-69.0
-52.0
-51.0
-43.0
-30.0
0.0

Cd
2Cd + O2 = CdO
m
b

T, K

T, K
0
1517

0
1725
2257
2500

0
594
1040
1800

10

11

12

DGo , Kcal/mol
0
-86.0
3400
-28.0

C
2CO + O2 = CO2

T, K

DGo , Kcal/mol
0
-103.6
1400
-33.3

Nb
4NbO + O2 = 2Nb2O3
M

T, K

S
S + O2 = SO2

T, K

Bi
3/2Bi + O2 = 1/2Bi3O4

T, K

Co
2Co + O2 = 2CoO
m
M

T, K

Zn
2Zn + O2 = 2ZnO
m
b
M

T, K

Ce
2Ce2O3 + O2 = 4CeO2

T, K

Ta
4/5Ta + O2 = 2/5Ta2O5
M
m

T, K

0
3400

0
1764

DGo , Kcal/mol
-114.2
-41.5
-27.0
-12.0

Ga
4/3Ga +O2 = 2/3Ga2O3
m
M
b

DGo , Kcal/mol
-166.0
-134.0
-109.0
-9.0
0.0

Mn
2Mn + O2 = 2MnO
m
M
b

T, K

DGo , Kcal/mol
0
-180.9
1077
-109.4

Nb
2Nb + O2 = 2NbO
M
m

T, K

DGo , Kcal/mol
0
-196.0
2150
-106.0
3270
-67.0

Nb
2Nb2O3 + O2 = 4NbO2
m

T, K

0
1768
2078
2500

0
693
1180
2240
2340

T, K
0
303
2073
2676

0
1517
2054
2309
2500

0
2218
3043

0
1764

13

DGo , Kcal/mol
0
-262.0
2125
-166.0
2980
-130.0

U
U + O2 = UO2
m
M

DGo , Kcal/mol
0
-285.7
1077
-237.0

Ba
2Ba + O2 = BaO
m
b
M

DGo , Kcal/mol
0
-289.4
1208
-236.1

Be
2Be + O2 = BeO
m
M

Zr
Zr + O2 = ZrO2
m
M

T, K

14

Ce
4/3Ce +O2 = 2/3Ce2O3
m

T, K

15

Pr
4/3Pr + O2 = 2/3Pr2O3
m

T, K

16

17

18

19

Sc
4/3Sc + O2 = 2/3Sc2O3
m

T, K
72
1811

DGo , Kcal/mol
-300.0
-220.0

T, K
0
1405
3151

T, K
0
983
1895
2191
2500

T, K
0
1556
2843

Gd
T, K
4/3Gd +O2 = 2/3Gd2O3
0
m
1558

Y
4/3Y + O2 = 2/3Y2O3
m

T, K
44
1773

Ag
4Ag + O2 = 2Ag2O

T, K
0
480

DGo , Kcal/mol
-14.0
0.0

Al
4/3Al +O2 = 2/3Al2O3
m
M
b

T, K
0
932
2345
2736

DGo , Kcal/mol
-266.6
-220.0
-147.6
-128.5

As
As +O2 = 1/2As2O4
M
B
b

T, K
0
585
730
886
2500

DGo , Kcal/mol
-104.0
-79.0
-77.0
-71.0
-16.0

B
4/3B +O2 = 2/3B2O3
M
m

T, K
0
723
2313

DGo , Kcal/mol
-200.5
-171.5
-112.0

Ba
2Ba + O2 = BaO
m
b
M

T, K
0
983
1895
2191
2500

DGo , Kcal/mol
-265.0
-222.0
-183.0
-159.0
-131.0

Be
2Be + O2 = BeO
m
M

T, K
0
1556
2843

DGo , Kcal/mol
-286.0
-212.0
-160.0

DGo , Kcal/mol
0
0.8
1098
-8.3
1400
-14.2

Bi
4Bi3O4+O2 = 6Bi2O3
M

T, K

Bi
3/2Bi + O2 = 1/2Bi3O4

T, K
0
1400

DGo , Kcal/mol
-103.6
-33.3

C
2C + O2 = 2CO

T, K
0
3400

DGo , Kcal/mol
-53.4
-195.9

10

C
C + O2 = CO2

T, K
0
3400

DGo , Kcal/mol
-94.2
-95.9

11

C
2CO + O2 = CO2

T, K
0
3400

DGo , Kcal/mol
-135.0
4.7

12

Ca
2Ca + O2 = CaO
m
b
M

T, K
65
1123
1756
2887

DGo , Kcal/mol
-300.0
-249.0
-217.0
-117.0

DGo , Kcal/mol
-124.0
-96.0
-74.0
0.0

13

Cd
2Cd + O2 = CdO
m
b

T, K
0
594
1040
1800

14

Ce
4/3Ce +O2 = 2/3Ce2O3
m

T, K

15

Ce
2Ce2O3 + O2 = 4CeO2

T, K
0
1077

DGo , Kcal/mol
-180.9
-109.4

16

Co
2Co + O2 = 2CoO
m
M

T, K
0
1768
2078
2500

DGo , Kcal/mol
-114.2
-41.5
-27.0
-12.0

17

Cr
4/3Cr +O2 = 2/3Cr2O3
m
b
M

T, K
0
2176
2495
2603

DGo , Kcal/mol
-178.5
-90.0
-77.5
-75.5

18

Cr
2Cr2O3 + O2 = 4CrO2
M

T, K

DGo , Kcal/mol
0
-285.7
1077
-237.0

DGo , Kcal/mol
0
-26.5
1660
41.0

19

Cs
4Cs + O2 = 2Cs2O
m
M
B
b

T, K
0
302
763
915
955

DGo , Kcal/mol
-151.8
-125.0
-84.0
-73.0
-72.0

20

Cu
4Cu + O2 = 2Cu2O
m
M

T, K
0
1357
1509
2500

DGo , Kcal/mol
-80.0
-33.0
-28.0
-9.5

21

Cu
Cu2O + O2 = 2CuO
m
M

T, K
0
1509
1609

DGo , Kcal/mol
-69.0
3.8
7.1

22

Dy
4/3Dy +O2 = 2/3Dy2O3
m

T, K
0
1680

DGo , Kcal/mol
-269.3
-220.5

23

Er
4/3Er +O2 = 2/3Er2O3
m

T, K
0
1770

DGo , Kcal/mol
-260.1
-208.7

24

Eu
2Eu + O2 = 2EuO
m

T, K
0
1090

DGo , Kcal/mol
-290.4
-245.0

25

Eu

T, K

DGo , Kcal/mol

4EuO +O2 = 2Eu2O3

0
1090

-199.5
-136.1

26

Fe
4Fe3O4 + O2 = 6Fe2O3

T, K
0
1853

DGo , Kcal/mol
-100.0
2.9

27

Fe
6FeO + O2 = 2Fe3O4
m

T, K
840
1642

DGo , Kcal/mol
-99.0
-51.2

28

Fe
2Fe + O2 = 2FeO
M
m

T, K
840
1642
1809
2000

DGo , Kcal/mol
-99.0
-75.0
-71.9
-67.9

29

Fe
3/2Fe + O2 = 1/2Fe3O4

T, K
0
840

DGo , Kcal/mol
-130.4
-99.0

30

Ga
4/3Ga +O2 = 2/3Ga2O3
m
M
b

T, K
0
303
2073
2676

DGo , Kcal/mol
-172.0
-158.0
-64.0
-50.0

31

Gd
4/3Gd +O2 = 2/3Gd2O3
m

T, K
0
1558

DGo , Kcal/mol
-288.6
-219.7

32

Ge
Ge + O2 = GeO2
m
M

T, K
0
1210
1389
2500

DGo , Kcal/mol
-129.0
-73.0
-64.0
-19.0

DGo , Kcal/mol
0
-16.0
1210
-67.4
2000
-85.3

33

Ge
2Ge + O2 = 2GeO(g)
m

T, K

34

H
2H2 + O2 = 2H2O

T, K

35

Hf
Hf + O2 = HfO2
m
M

T, K

36

Ho
4/3Ho + O2 = 2/3Ho2O3
m

T, K

37

In
4/3In + O2 = 2/3In2O3
m
M
b

T, K

DGo , Kcal/mol
0
-119.3
3400
-26.9

DGo , Kcal/mol
0
-265.0
2495
-152.0
3013
-115.0

DGo , Kcal/mol
0
-298.5
1734
-220.8

0
429
2183
2364

DGo , Kcal/mol
-148.0
-127.0
-41.3
-33.0

DGo , Kcal/mol
0
-43.0
1090
0.0

38

Ir
2/3Ir + O2 = 2/3IrO3

T, K

39

K
4K + O2 = 2K2O
m
M
b
B

40

La
4/3La + O2 = 2/3La2O3
m

T, K

41

Li
4Li + O2 = 2Li2O
m
b
M

T, K

42

Lu
4/3Lu + O2 = 2/3Lu2O3
m

T, K

43

Mg
2Mg + O2 = 2MgO
m
b
M

T, K

o
T, K DG , Kcal/mol
0
-172.0
336
-151.0
980
-107.0
1031
-104.0
1325
-71.0
2160
0.0

DGo , Kcal/mol
0
-284.8
1193
-205.7

0
453
1597
2000

DGo , Kcal/mol
-286.0
-258.0
-173.0
-128.0

DGo , Kcal/mol
0
-298.2
1925
-210.8

0
923
1376
3125

DGo , Kcal/mol
-286.0
-240.0
-214.0
-52.0

44

DGo , Kcal/mol
-184.0
-130.0
-108.0
-99.0
-89.5

Mn
2Mn + O2 = 2MnO
m
M
b

T, K

45

Mn
4MnO + O2 = 2Mn2O3

T, K

46

Mn
2Mn2O3 + O2 = 4MnO2

T, K

47

Na
4Na + O2 = 2Na2O
m
b
M
B

T, K

48

Nb
2Nb + O2 = 2NbO
M
m

o
T, K DG , Kcal/mol
0
-192.0
2218
-108.0
3043
-77.0

49

Nb
4NbO + O2 = 2Nb2O3
M

T, K

50

Nb

T, K

0
1517
2054
2309
2500

DGo , Kcal/mol
0
-95.5
1517
-19.0

DGo , Kcal/mol
0
-36.5
1120
43.3

0
371
1156
1193
1600
2250

DGo , Kcal/mol
-197.0
-176.0
-122.0
-119.0
-62.0
0.0

DGo , Kcal/mol
0
-159.0
1764
-85.6

DGo , Kcal/mol

2Nb2O3 + O2 = 4NbO2
m

0
1764

-209.0
-163.3

51

Ni
2Ni + O2 = 2NiO
m
M

o
T, K DG , Kcal/mol
0
-114.0
1725
-44.5
2257
-24.5
2500
-15.0

52

Os
Os + O2 = OsO2

T, K
0
923

53

P
4/5P + O2 = 2/5P2O5
M
b

o
T, K DG , Kcal/mol
0
-142.0
631
-95.0
704
-93.0
2500
42.0

54

Pb
2Pb + O2 = 2PbO
m
M
B
b

o
T, K DG , Kcal/mol
0
-104.0
762
-69.0
1159
-52.0
1745
-29.0
2016
-35.0
2500
-24.0

55

Pr
PrO1.83
m

o
T, K DG , Kcal/mol
0
-246.9
1208
-194.6

56

Pr
4/3Pr + O2 = 2/3Pr2O3
m

o
T, K DG , Kcal/mol
0
-289.4
1208
-236.1

DGo , Kcal/mol
-62.0
-23.0

T, K
0
734

DGo , Kcal/mol
-32.0
0.0

57

Pt
3/2Pt + O2 = 1/2Pt3O4

58

Pu
4/3Pu + O2 = 2/3Pu2O3
m
M

59

Rb
4Rb + O2 = 2Rb2O
m
M
b

60

Rh
4/3Rh + O2 = 2/3Rh2O3

o
T, K DG , Kcal/mol
0
-42.0
1050
0.0

61

S
S + O2 = SO2

o
T, K DG , Kcal/mol
0
-86.0
3400
-28.0

62

Sb
4/3Sb +O2 = 2/3Sb2O3
m
M
B

o
T, K DG , Kcal/mol
0
-111.0
904
-74.0
928
-73.0
1698
-45.0

o
T, K DG , Kcal/mol
0
-258.0
913
-222.0
1880
-185.0
2500
-175.0

T, K
0
312
910
952

DGo , Kcal/mol
-157.8
-138.0
-96.0
-95.0

1908
2380

-32.0
0.0

63

Sc
4/3Sc + O2 = 2/3Sc2O3
m

o
T, K DG , Kcal/mol
72
-300.0
1811
-220.0

64

Se
Se + O2 = SeO2
m
M
b

o
T, K DG , Kcal/mol
0
-54.0
491
-33.0
603
-28.0
952
-27.0
2250
0.0

65

Si
Si + O2 = SiO2
m
M

o
T, K DG , Kcal/mol
0
-216.5
1685
-145.8
1696
-145.4
2500
-107.8

66

Sm
4/3Sm + O2 = 2/3Sm2O3
m

o
T, K DG , Kcal/mol
0
-288.7
1345
-227.1

67

Sn
Sn + O2 = SnO2
m
B

o
T, K DG , Kcal/mol
0
-138.8
505
-114.0
2140
-31.0

68

Sr
2Sr + O2 = 2SrO
m
b
M

o
T, K DG , Kcal/mol
0
-281.0
1043
-233.0
1640
-205.0
2690
-116.0

69

Ta
4/5Ta + O2 = 2/5Ta2O5
M
m

o
T, K DG , Kcal/mol
0
-196.0
2150
-106.0
3270
-67.0

70

Tb
4/3Tb + O2 = 2/3Tb2O3
m

o
T, K DG , Kcal/mol
0
-295.6
1638
-224.1

71

Tb
4.762Tb2O3 + O2 = 9.524TbO1.709

o
T, K DG , Kcal/mol
0
-47.3
1638
39.5

72

Te
Te + O2 = TeO2
m
M
b

73

Tb
TbO1.817
m

o
T, K DG , Kcal/mol
0
-251.9
1638
-178.7

74

Th
Th + O2 = ThO2
m
M

o
T, K DG , Kcal/mol
0
-293.0
1968
-204.0
3493
-136.0

75

Ti

o
T, K DG , Kcal/mol
0
-77.0
723
-46.0
1006
-33.0
1267
-2.0
1700
0.0

T, K

DGo , Kcal/mol

2Ti + O2 = 2TiO
m
M

76

Ti
4TiO + O2 = 2Ti2O3
m
M

77

Ti
6Ti2O3 + O2 = 4Ti3O5

M
m

78

Ti
2Ti3O5 + O2 = 6TiO2
M
m

0
1940
2033
2500

-247.5
-161.0
-159.0
-142.5

o
T, K DG , Kcal/mol
0
-231.0
1940
-152.0
2033
-147.4
2128
-145.3
2150
-144.8

o
T, K DG , Kcal/mol
0
-192.0
1940
-108.0
2033
-100.2
2128
-92.2
2150
-90.3

o
T, K DG , Kcal/mol
0
-168.0
1940
-90.0
2033
-83.1
2128
-76.1
2150
-75.5
2450
-67.0
2500
-64.0

79

Tl
4Tl + O2 = 2Tl2O
M
m
B
b

o
T, K DG , Kcal/mol
0
-69.0
573
-52.0
577
-51.0
773
-43.0
1760
-30.0
2000
0.0

80

Tl
Tl2O + O2 = Tl2O3
m

o
T, K DG , Kcal/mol
0
-49.5
573
-13.3
577
-13.5
773
-5.4
990
6.6
1200
18.7
1760
15.0

b
M

81

Tm
4/3Tm + O2 = 2/3Tm2O3
m

o
T, K DG , Kcal/mol
0
-299.3
1873
-216.1

82

U
U + O2 = UO2
m
M

o
T, K DG , Kcal/mol
0
-258.0
1405
-202.0
3151
-130.0

83

V
2V + O2 = 2VO
m
M

o
T, K DG , Kcal/mol
0
-198.2
2190
-116.5
2350
-103.5
2500
-95.0

84

V
4VO + O2 = 2V2O3
m

o
T, K DG , Kcal/mol
0
-192.2
2190
-96.1
2240
-100.6

85

V
2V2O3 + O2 = 4VO2
M

o
T, K DG , Kcal/mol
0
-83.4
1610
-33.3

86

V
4VO2 + O2 = 2V2O5
M
m

o
T, K DG , Kcal/mol
0
-75.5
943
-19.1
1610
-33.3

87

V
V2O3 + O2 = V2O5
M

o
T, K DG , Kcal/mol
1610
-33.3
1818
-32.3

88

W
2/3W + O2 = 2/3WO3
M
B

o
T, K DG , Kcal/mol
0
-133.0
1743
-67.0
2100
-57.0
2500
-52.0

89

Y
4/3Y + O2 = 2/3Y2O3
m

o
T, K DG , Kcal/mol
44
-300.0
1773
-221.6

90

Yb
4/3Yb + O2 = 2/3Yb2O3
m

o
T, K DG , Kcal/mol
0
-288.1
1097
-239.3

91

Zn
2Zn + O2 = 2ZnO
m
b
M

o
T, K DG , Kcal/mol
0
-166.0
693
-134.0
1180
-109.0
2240
-9.0
2340
0.0

92

Zr
Zr + O2 = ZrO2
m
M

o
T, K DG , Kcal/mol
0
-262.0
2125
-166.0
2980
-130.0

93

94

95

96

97

98

99

100

101

102

103

104

Part-3
DG , Kcal/mol
-36.5
43.3
o

DGo , Kcal/mol
-69.0
3.8
7.1

T, K

DGo , Kcal/mol
0
-42.0
1050
0.0

Tb
T, K
4.762Tb2O3 + O2 = 9.524TbO1.709

DGo , Kcal/mol
0
-47.3
1638
39.5

Rh
4/3Rh + O2 = 2/3Rh2O3

DGo , Kcal/mol
-80.0
-33.0
-28.0
-9.5

As
As +O2 = 1/2As2O4
M
B
b

T, K

DGo , Kcal/mol
-95.5
-19.0

Sb
4/3Sb +O2 = 2/3Sb2O3
m
M
B
b

T, K

DGo , Kcal/mol
-114.0
-44.5
-24.5
-15.0

W
2/3W + O2 = 2/3WO3
M
B

T, K

DGo , Kcal/mol
-124.0
-96.0
-74.0
0.0

P
4/5P + O2 = 2/5P2O5
M
b

T, K

0
585
730
886
2500

DGo , Kcal/mol
-104.0
-79.0
-77.0
-71.0
-16.0

0
904
928
1698
1908
2380

DGo , Kcal/mol
-111.0
-74.0
-73.0
-45.0
-32.0
0.0

0
1743
2100
2500

DGo , Kcal/mol
-133.0
-67.0
-57.0
-52.0

0
631
704
2500

DGo , Kcal/mol
-142.0
-95.0
-93.0
42.0

DGo , Kcal/mol
-135.0
4.7

Cs
4Cs + O2 = 2Cs2O
m
M
B
b

T, K

DGo , Kcal/mol
-159.0
-85.6

Ti
2Ti3O5 + O2 = 6TiO2

T, K

M
m

DGo , Kcal/mol
-172.0
-158.0
-64.0
-50.0

Ti
6Ti2O3 + O2 = 4Ti3O5

DGo , Kcal/mol
-184.0
-130.0
-108.0
-99.0
-89.5

Ti
4TiO + O2 = 2Ti2O3

DGo , Kcal/mol
-192.0
-108.0
-77.0

Ti
2Ti + O2 = 2TiO
m
M

T, K

DGo , Kcal/mol
-209.0
-163.3

Er
4/3Er +O2 = 2/3Er2O3
m

T, K

0
302
763
915
955

DGo , Kcal/mol
-151.8
-125.0
-84.0
-73.0
-72.0

0
1940
2033
2128
2150
2450
2500

DGo , Kcal/mol
-168.0
-90.0
-83.1
-76.1
-75.5
-67.0
-64.0

0
1940
2033
2128
2150

DGo , Kcal/mol
-192.0
-108.0
-100.2
-92.2
-90.3

0
1940
2033
2128
2150

DGo , Kcal/mol
-231.0
-152.0
-147.4
-145.3
-144.8

0
1940
2033
2500

DGo , Kcal/mol
-247.5
-161.0
-159.0
-142.5

T, K

M
m

T, K

m
M

DGo , Kcal/mol
0
-260.1
1770
-208.7

DGo , Kcal/mol
-258.0
-202.0
-130.0

Dy
4/3Dy +O2 = 2/3Dy2O3
m

DGo , Kcal/mol
-265.0
-222.0
-183.0
-159.0
-131.0

Li
4Li + O2 = 2Li2O
m
b
M

DGo , Kcal/mol
-286.0
-212.0
-160.0

Th
Th + O2 = ThO2
m
M

DGo , Kcal/mol
-288.6
-219.7

Ca
2Ca + O2 = CaO
m
b
M

DGo , Kcal/mol
-300.0
-221.6

T, K

DGo , Kcal/mol
0
-269.3
1680
-220.5

T, K
0
453
1597
2000

T, K

DGo , Kcal/mol
-286.0
-258.0
-173.0
-128.0

DGo , Kcal/mol
0
-293.0
1968
-204.0
3493
-136.0

T, K
65
1123
1756
2887

DGo , Kcal/mol
-300.0
-249.0
-217.0
-117.0

RUN
Part-4

Part-5

V
V2O3 + O2 = V2O5
M

T, K

C
2C + O2 = 2CO

T, K

V
4VO2 + O2 = 2V2O5
M
m

T, K

V
2V2O3 + O2 = 4VO2
M

T, K

C
C + O2 = CO2

Fe
6FeO + O2 = 2Fe3O4
m

DGo , Kcal/mol
1610
-33.3
1818
-32.3

Ir
2/3Ir + O2 = 2/3IrO3

T, K

DGo , Kcal/mol
0
-53.4
3400
-195.9

Os
Os + O2 = OsO2

T, K

DGo , Kcal/mol
0
-75.5
943
-19.1
1610
-33.3

Te
Te + O2 = TeO2
m
M
b

T, K

DGo , Kcal/mol
0
-83.4
1610
-33.3

Pb
2Pb + O2 = 2PbO
m
M
B
b

T, K

DGo , Kcal/mol
-94.2
-95.9

Ge
Ge + O2 = GeO2
m
M

T, K

Ge
2Ge + O2 = 2GeO(g)
m

T, K

T, K
0
3400

T, K

DGo , Kcal/mol
840
-99.0
1642
-51.2

0
1090

0
923

0
723
1006
1267
1700

0
762
1159
1745
2016
2500

0
1210
1389
2500

0
1210
2000

Fe
2Fe + O2 = 2FeO
M
m

T, K

Fe
4Fe3O4 + O2 = 6Fe2O3

T, K

Fe
3/2Fe + O2 = 1/2Fe3O4

T, K

H
2H2 + O2 = 2H2O

T, K

V
4VO + O2 = 2V2O3

Sn
Sn + O2 = SnO2
m
B

T, K

DGo , Kcal/mol
0
-100.0
1853
2.9

Rb
4Rb + O2 = 2Rb2O
m
M
b

T, K

DGo , Kcal/mol
0
-130.4
840
-99.0

Eu
4EuO +O2 = 2Eu2O3

T, K

DGo , Kcal/mol
0
-119.3
3400
-26.9

Pr
1.09Pr + O2 = PrO1.83
m

T, K

T, K

DGo , Kcal/mol
0
-192.2
2190
-96.1
2240
-100.6

Pu
T, K
4/3Pu + O2 = 2/3Pu2O3
0
m
913
M
1880
2500

T, K

DGo , Kcal/mol
-198.2
-116.5
-103.5
-95.0

840
1642
1809
2000

V
2V + O2 = 2VO
m
M

DGo , Kcal/mol
-99.0
-75.0
-71.9
-67.9

0
2190
2350
2500

Al
4/3Al +O2 = 2/3Al2O3
m
M
b

0
505
2140

0
312
910
952

0
1090

0
1208

T, K
0
932
2345
2736

Tb
T, K
1.17Tb + O2 = 1.17TbO1.709
m

Sr
2Sr + O2 = 2SrO
m
b
M

T, K

Mg
2Mg + O2 = 2MgO
m
b
M

T, K

Tb
4/3Tb + O2 = 2/3Tb2O3
m

DGo , Kcal/mol
0
-251.9
1638
-178.7

La
T, K
4/3La + O2 = 2/3La2O3
0
m
1193

0
1043
1640
2690

DGo , Kcal/mol
-281.0
-233.0
-205.0
-116.0

Eu
2Eu + O2 = 2EuO
m

0
923
1376
3125

DGo , Kcal/mol
-286.0
-240.0
-214.0
-52.0

Lu
4/3Lu + O2 = 2/3Lu2O3
m

T, K
0
1638

DGo , Kcal/mol
-295.6
-224.1

T, K
0
1090

T, K
0
1925

RUN
Part-6

Part-7

DG , Kcal/mol
-43.0
0.0

Cr
2Cr2O3 + O2 = 4CrO2
M

T, K DG , Kcal/mol
0
-26.5
1660
41.0

In
4/3In + O2 = 2/3In2O3
m
M
b

T, K
0
429
2183
2364

DGo , Kcal/mol
-62.0
-23.0

Cr
4/3Cr +O2 = 2/3Cr2O3
m
b
M

o
T, K DG , Kcal/mol
0
-178.5
2176
-90.0
2495
-77.5
2603
-75.5

K
4K + O2 = 2K2O
m
M
b
B

T, K
0
336
980
1031
1325
2160

DGo , Kcal/mol
-77.0
-46.0
-33.0
-2.0
0.0

Na
4Na + O2 = 2Na2O
m
b
M
B

o
T, K DG , Kcal/mol
0
-197.0
371
-176.0
1156
-122.0
1193
-119.0
1600
-62.0
2250
0.0

B
4/3B +O2 = 2/3B2O3
M
m

T, K
0
723
2313

DGo , Kcal/mol
-104.0
-69.0
-52.0
-29.0
-35.0
-24.0

Hf
Hf + O2 = HfO2
m
M

o
T, K DG , Kcal/mol
0
-265.0
2495
-152.0
3013
-115.0

Si
Si + O2 = SiO2
m
M

T, K
0
1685
1696
2500

DGo , Kcal/mol
-129.0
-73.0
-64.0
-19.0

o
Yb
T, K DG , Kcal/mol
4/3Yb + O2 = 2/3Yb2O3
0
-288.1
m
1097
-239.3

Sm
4/3Sm + O2 = 2/3Sm2O3
m

T, K
0
1345

DGo , Kcal/mol
-16.0
-67.4
-85.3

o
Ho
T, K DG , Kcal/mol
4/3Ho + O2 = 2/3Ho2O3
0
-298.5
m
1734
-220.8

Tm
4/3Tm + O2 = 2/3Tm2O3
m

T, K
0
1873

DGo , Kcal/mol
-138.8
-114.0
-31.0

DGo , Kcal/mol
-157.8
-138.0
-96.0
-95.0

DGo , Kcal/mol
-199.5
-136.1

DGo , Kcal/mol
-246.9
-194.6

DGo , Kcal/mol
-258.0
-222.0
-185.0
-175.0

DGo , Kcal/mol
-266.6
-220.0
-147.6
-128.5

DGo , Kcal/mol
-284.8
-205.7

DGo , Kcal/mol
-290.4
-245.0

DGo , Kcal/mol
-298.2
-210.8

RUN
DGo , Kcal/mol
-148.0
-127.0
-41.3
-33.0

DGo , Kcal/mol
-172.0
-151.0
-107.0
-104.0
-71.0
0.0
DGo , Kcal/mol
-200.5
-171.5
-112.0

DGo , Kcal/mol
-216.5
-145.8
-145.4
-107.8

DGo , Kcal/mol
-288.7
-227.1

DGo , Kcal/mol
-299.3
-216.1

Selenide Data

RUN

Part-1
o
T, K DG , Kcal/mol
0
-18.9
490
-23.4
952
-25.2

Cu
2Cu + Se2 = 2CuSe
x
X

o
Ag
T, K DG , Kcal/mol
4Ag + Se2 = 2Ag2Se
0
-20.6
x
490
-25.8
X
952
-28.3
M
1153
-23.4
1200
-22.3

Hg
2Hg + Se2 = 2HgSe
x
b
X
M

o
T, K DG , Kcal/mol
0
-25.1
490
-22.5
630
-21.2
952
-3.0
1072
7.1
1200
16.5

Sn
2Sn + Se2 = 2SnSe
x
m
X
M
B

o
T, K DG , Kcal/mol
0
-32.8
490
-32.9
505
-32.8
952
-27.5
1133
-20.1
1506
-9.1
1700
-14.0

Pb
2Pb + Se2 = 2PbSe
x
m
X
M
B

o
T, K DG , Kcal/mol
0
-36.0
490
-34.9
601
-34.1
952
-30.1
1349
-14.0
1531
-8.8
1700
-14.1

Ge
2Ge + Se2 = 2GeSe
x
X
B
m

o
T, K DG , Kcal/mol
0
-39.4
490
-40.6
952
-39.4
1195
-30.7
1213
-31.5
1500
-38.0

Mn
2Mn + Se2 = 2MnSe
x
X

o
T, K DG , Kcal/mol
0
-56.0
490
-59.8
952
-61.0
1200
-54.4

Cd
2Cd + Se2 = 2CdSe
x
m
X
B
M

o
T, K DG , Kcal/mol
0
-71.3
490
-68.2
594
-67.0
952
-61.1
1038
-57.2
1541
-11.2
1680
1.4

Zn
2Zn + Se2 = 2ZnSe
x
m
X
b
M

o
T, K DG , Kcal/mol
0
-84.0
490
-82.1
693
-80.2
952
-76.5
1184
-66.4
1803
-10.3
1935
0.0

10

11

12

13

14

15

16

17

18

19

o
Ag
T, K DG , Kcal/mol
4Ag + Se2 = 2Ag2Se
0
-20.6
x
490
-25.8
X
952
-28.3
M
1153
-23.4
1200
-22.3

Cd
2Cd + Se2 = 2CdSe
x
m
X
B
M

o
T, K DG , Kcal/mol
0
-71.3
490
-68.2
594
-67.0
952
-61.1
1038
-57.2
1541
-11.2
1680
1.4

Cu
2Cu + Se2 = 2CuSe
x
X

o
T, K DG , Kcal/mol
0
-18.9
490
-23.4
952
-25.2

Ge
2Ge + Se2 = 2GeSe
x
X
B
m

o
T, K DG , Kcal/mol
0
-39.4
490
-40.6
952
-39.4
1195
-30.7
1213
-31.5
1500
-38.0

Hg
2Hg + Se2 = 2HgSe
x
b
X
M

o
T, K DG , Kcal/mol
0
-25.1
490
-22.5
630
-21.2
952
-3.0
1072
7.1
1200
16.5

Mn
2Mn + Se2 = 2MnSe
x
X

o
T, K DG , Kcal/mol
0
-56.0
490
-59.8
952
-61.0
1200
-54.4

Pb
2Pb + Se2 = 2PbSe
x
m
X
M
B

o
T, K DG , Kcal/mol
0
-36.0
490
-34.9
601
-34.1
952
-30.1
1349
-14.0
1531
-8.8
1700
-14.1

Sn
2Sn + Se2 = 2SnSe
x
m
X
M
B

o
T, K DG , Kcal/mol
0
-32.8
490
-32.9
505
-32.8
952
-27.5
1133
-20.1
1506
-9.1
1700
-14.0

Zn
2Zn + Se2 = 2ZnSe
x
m
X
b
M

o
T, K DG , Kcal/mol
0
-84.0
490
-82.1
693
-80.2
952
-76.5
1184
-66.4
1803
-10.3
1935
0.0

10

Sulfide Data

RUN
Part-1

Part-2

C
2C + S2 = 2CS

T, K DG , Kcal/mol
1929
0.0
2500
-24.0

Fe
2FeS + S2 = 2FeS2

o
T, K DG , Kcal/mol
0
-13.6
969
36.5

C
C + S2 = CS2

o
T, K DG , Kcal/mol
0
-3.1
2500
-7.4

Cu
2Cu + S2 = 2CuS

o
T, K DG , Kcal/mol
0
-54.0
900
-23.1

H
2H2 + S2 = 2H2S

o
T, K DG , Kcal/mol
0
-43.1
1826
0.0

Fe
2Fe + S2 = 2FeS
M
m

o
T, K DG , Kcal/mol
0
-72.8
1468
-17.8
1809
-15.7

S
O2 + S2 = 2SO

o
T, K DG , Kcal/mol
0
-49.0
2500
-55.2

Co
9/4Co + S2 = 1/4Co9S8

o
T, K DG , Kcal/mol
0
-79.2
1048
-37.5

Ni
3Ni + S2 = Ni3S2

o
T, K DG , Kcal/mol
0
-78.4
800
-48.0

Mo
Mo + S2 = MoS2

o
T, K DG , Kcal/mol
0
-86.6
1780
0.0

Sn
2Sn + S2 = 2SnS
m
M
B

o
T, K DG , Kcal/mol
0
-81.0
505
-61.8
1154
-33.2
1490
-22.2
2000
-37.0

Cd
2Cd + S2 = 2CdS
m
b
M

o
T, K DG , Kcal/mol
0
-105.0
594
-79.3
1038
-58.0
1683
2.8

Zn
2Zn + S2 = 2ZnS
m
b
M

o
T, K DG , Kcal/mol
0
-116.6
693
-89.9
1184
-68.4
1993
4.7

Ce
2Ce + S2 = 2CeS
m
M

o
T, K DG , Kcal/mol
0
-267.0
1077
-223.9
2723
-158.0

10

11

12

13

Mg
2Mg + S2 = 2MgS
m
b

o
T, K DG , Kcal/mol
0
-199.3
923
-156.2
1380
-134.1
2000
-73.7

14

15

16

17

18

19

Ag
4Ag + S2 = 2Ag2S
M
m

o
T, K DG , Kcal/mol
0
-44.8
1115
-23.6
1235
-21.7
1500
-15.3

o
Al
T, K DG , Kcal/mol
4/3Al + S2 = 2/3Al2S3
0
-133.9
m
933
-93.3
M
1373
-73.9
2000
-52.3

C
2C + S2 = 2CS

o
T, K DG , Kcal/mol
1929
0.0
2500
-24.0

C
C + S2 = CS2

o
T, K DG , Kcal/mol
0
-3.1
2500
-7.4

Cd
2Cd + S2 = 2CdS
m
b
M

o
T, K DG , Kcal/mol
0
-105.0
594
-79.3
1038
-58.0
1683
2.8

Ce
2Ce + S2 = 2CeS
m
M

o
T, K DG , Kcal/mol
0
-267.0
1077
-223.9
2723
-158.0

Cu
4Cu + S2 = 2Cu2S
m

o
T, K DG , Kcal/mol
0
-62.7
1356
-42.9

Cu
2Cu + S2 = 2CuS

o
T, K DG , Kcal/mol
0
-54.0
900
-23.1

Fe
2FeS + S2 = 2FeS2

o
T, K DG , Kcal/mol
0
0.0
969
0.0

10

Fe
2Fe + S2 = 2FeS
M
m

o
T, K DG , Kcal/mol
0
-72.8
1468
-17.8
1809
-15.7

11

Ga
2Ga + S2 = 2GaS
m
M
b

o
T, K DG , Kcal/mol
0
-258.9
673
-228.2
1124
-207.5
1760
-175.8
2500
-108.1

12

Ge
2Ge + S2 = 2GeS
M
B
m

o
T, K DG , Kcal/mol
0
-73.6
898
-43.9
1050
-40.8
1213
-51.7
1500
-61.6

13

o
T, K DG , Kcal/mol

2H2 + S2 = 2H2S

0
1826

-43.1
0.0

14

Ir
4/3Ir + S2 = 2/3Ir2S3

o
T, K DG , Kcal/mol
0
-64.5
1600
-7.0

15

Mg
2Mg + S2 = 2MgS
m
b

o
T, K DG , Kcal/mol
0
-199.3
923
-156.2
1380
-134.1
2000
-73.7

16

Mn
2Mn + S2 = 2MnS
m
M

o
T, K DG , Kcal/mol
0
-128.0
1517
-80.7
1803
-70.0
2000
-63.9

17

Mo
Mo + S2 = MoS2

o
T, K DG , Kcal/mol
0
-86.6
1780
0.0

18

Na
4Na + S2 = 2Na2S
m
b
M

o
T, K DG , Kcal/mol
0
-208.0
371
-187.1
1156
-137.7
1192
-135.1
1800
-78.5

19

Ni
3Ni + S2 = Ni3S2

o
T, K DG , Kcal/mol
0
-78.4
800
-48.0

20

Pb
2Pb + S2 = 2PbS
m
M
B

o
T, K DG , Kcal/mol
0
-75.8
600
-53.2
1392
-20.2
1560
-15.3
2000
-29.6

21

Pt
2Pt + S2 = 2PtS

o
T, K DG , Kcal/mol
0
-43.7
1000
0.0

22

S
S + S2 = SO2

o
T, K DG , Kcal/mol
0
-173.2
1669
0.0

23

S
2/3S + S2 = 2/3SO3

o
T, K DG , Kcal/mol
0
-218.4
2500
-25.0

24

Si
Si + S2 = SiS2
M
B

o
T, K DG , Kcal/mol
0
-79.8
1363
-31.4
1403
-30.3

25

Sn
2Sn + S2 = 2SnS
m
M
B

o
T, K DG , Kcal/mol
0
-81.0
505
-61.8
1154
-33.2
1490
-22.2

2000

-37.0

26

Co
Co9S8

o
T, K DG , Kcal/mol
0
-79.2
1048
-37.5

27

S
SO

o
T, K DG , Kcal/mol
0
-49.0
2500
-55.2

28

W
W + S2 = WS2

o
T, K DG , Kcal/mol
0
-79.2
1400
-19.7

29

Zn
2Zn + S2 = 2ZnS
m
b
M

o
T, K DG , Kcal/mol
0
-116.6
693
-89.9
1184
-68.4
1993
4.7

RUN
Part-3

Part-4

Pt
2Pt + S2 = 2PtS

T, K DG , Kcal/mol
0
-43.7
1000
0.0

Ag
4Ag + S2 = 2Ag2S
M
m

T, K
0
1115
1235
1500

DGo , Kcal/mol
-44.8
-23.6
-21.7
-15.3

Cu
4Cu + S2 = 2Cu2S
m

o
T, K DG , Kcal/mol
0
-62.7
1356
-42.9

Ir
4/3Ir + S2 = 2/3Ir2S3

T, K
0
1600

DGo , Kcal/mol
-64.5
-7.0

Ge
2Ge + S2 = 2GeS
M
B
m

o
T, K DG , Kcal/mol
0
-73.6
898
-43.9
1050
-40.8
1213
-51.7
1500
-61.6

Pb
2Pb + S2 = 2PbS
m
M
B

T, K
0
600
1392
1560
2000

DGo , Kcal/mol
-75.8
-53.2
-20.2
-15.3
-29.6

W
W + S2 = WS2

o
T, K DG , Kcal/mol
0
-79.2
1400
-19.7

Si
Si + S2 = SiS2
M
B

T, K
0
1363
1403

DGo , Kcal/mol
-79.8
-31.4
-30.3

Mn
2Mn + S2 = 2MnS
m
M

o
T, K DG , Kcal/mol
0
-128.0
1517
-80.7
1803
-70.0
2000
-63.9

Al
4/3Al + S2 = 2/3Al2S3
m
M

T, K
0
933
1373
2000

DGo , Kcal/mol
-133.9
-93.3
-73.9
-52.3

Na
4Na + S2 = 2Na2S
m
b
M

o
T, K DG , Kcal/mol
0
-208.0
371
-187.1
1156
-137.7
1192
-135.1
1800
-78.5

S
2O2 + S2 = 2SO2

T, K
0
1669

DGo , Kcal/mol
-173.2
0.0

S
2/3S + S2 = 2/3SO3

o
T, K DG , Kcal/mol
0
-218.4
2500
-25.0

Ga
2Ga + S2 = 2GaS
m
M
b

T, K
0
673
1124
1760
2500

DGo , Kcal/mol
-258.9
-228.2
-207.5
-175.8
-108.1

RUN

Fe
2Fe + S2 = 2FeS
M
m

o
T, K DG , Kcal/mol
0
-72.8
969
-36.5
1468
-17.8
1809
-15.7

Fe
2FeS + S2 = 2FeS2

o
T, K DG , Kcal/mol
0
-13.6
969
36.5

Fe
Fe + S2 = FeS2

o
T, K DG , Kcal/mol
0
-43.2
969
0.0

Telluride Data

RUN
Part-1

RUN
Part-2

Sb
4/3Sb + Te2 = 2/3Sb2Te3
x
m
X

o
T, K DG , Kcal/mol
0
-9.0
723
-10.9
893
-8.5
1271
-8.6
1600
6.3

Bi
4/3Bi + Te2 = 2/3Bi2Te3
m
x
M
X

o
T, K DG , Kcal/mol
0
-12.5
544
-13.2
723
-12.3
860
-10.0
1271
-7.3
1600
1.4

Ag
4Ag + Te2 = 2Ag2Te
x
M
m
X

o
T, K DG , Kcal/mol
0
-14.0
723
-18.6
1230
-15.9
1233
-16.0
1271
-15.9
1600
-12.2

Ge
2Ge + Te2 = 2GeTe
x
M
m
B
X

o
T, K DG , Kcal/mol
0
-16.0
723
-15.3
998
-11.6
1213
-11.4
1215
-11.4
1271
-14.4
1700
-28.1

Hg
2Hg + Te2 = 2HgTe
b
x
M
X

o
T, K DG , Kcal/mol
0
-21.7
630
-15.8
723
-10.7
943
3.6
1271
21.2

Sn
2Sn + Te2 = 2SnTe
m
x
M
X
B

o
T, K DG , Kcal/mol
0
-28.4
505
-28.4
723
-26.9
1063
-20.7
1271
-19.3
1530
-12.6
1700
-12.7

Pb
2Pb + Te2 = 2PbTe
m
x
M
X
B

o
T, K DG , Kcal/mol
0
-33.2
601
-31.9
723
-31.2
1190
-23.0
1271
-22.5
1464
-17.6
1700
-17.9

Mn
2Mn + Te2 = 2MnTe
x
X
m

o
T, K DG , Kcal/mol
0
-45.0
723
-49.2
1271
-46.2
1517
-39.9
1800
-31.5

Cd
2Cd + Te2 = 2CdTe
m
x
b
X
M

o
T, K DG , Kcal/mol
0
-52.4
594
-48.3
723
-46.8
1038
-39.4
1271
-23.2
1378
-13.6
1700
11.4

Zn
2Zn + Te2 = 2ZnTe
m
x
b
X
M

o
T, K DG , Kcal/mol
0
-60.9
693
-54.3
723
-54.0
1184
-42.1
1271
-35.5
1576
-7.4
1700
2.5

Ca
2Ca + Te2 = 2CaTe
x
m
X
b

o
T, K DG , Kcal/mol
0
-130.0
723
-126.3
1116
-119.7
1271
-116.6
1756
-97.2
2000
-77.4

10

11

12

13

14

15

16

17

18

19

Ag
4Ag + Te2 = 2Ag2Te
x
M
m
X

o
T, K DG , Kcal/mol
0
-14.0
723
-18.6
1230
-15.9
1233
-16.0
1271
-15.9
1600
-12.2

Bi
4/3Bi + Te2 = 2/3Bi2Te3
m
x
M
X

o
T, K DG , Kcal/mol
0
-12.5
544
-13.2
723
-12.3
860
-10.0
1271
-7.3
1600
1.4

Ca
2Ca + Te2 = 2CaTe
x
m
X
b

o
T, K DG , Kcal/mol
0
-130.0
723
-126.3
1116
-119.7
1271
-116.6
1756
-97.2
2000
-77.4

Cd
2Cd + Te2 = 2CdTe
m
x
b
X
M

o
T, K DG , Kcal/mol
0
-52.4
594
-48.3
723
-46.8
1038
-39.4
1271
-23.2
1378
-13.6
1700
11.4

Ge
2Ge + Te2 = 2GeTe
x
M
m
B
X

o
T, K DG , Kcal/mol
0
-16.0
723
-15.3
998
-11.6
1213
-11.4
1215
-11.4
1271
-14.4
1700
-28.1

Hg
2Hg + Te2 = 2HgTe
b
x
M
X

o
T, K DG , Kcal/mol
0
-21.7
630
-15.8
723
-10.7
943
3.6
1271
21.2

Mn

o
T, K DG , Kcal/mol

2Mn + Te2 = 2MnTe


x
X
m

0
723
1271
1517
1800

Pb
2Pb + Te2 = 2PbTe
m
x
M
X
B

o
T, K DG , Kcal/mol
0
-33.2
601
-31.9
723
-31.2
1190
-23.0
1271
-22.5
1464
-17.6
1700
-17.9

Sb
4/3Sb + Te2 = 2/3Sb2Te3
x
m
X

o
T, K DG , Kcal/mol
0
-9.0
723
-10.9
893
-8.5
1271
-8.6
1600
6.3

10

Sn
2Sn + Te2 = 2SnTe
m
x
M
X

o
T, K DG , Kcal/mol
0
-28.4
505
-28.4
723
-26.9
1063
-20.7
1271
-19.3
1530
-12.6
1700
-12.7

Zn
2Zn + Te2 = 2ZnTe
m
x
b
X
M

o
T, K DG , Kcal/mol
0
-60.9
693
-54.3
723
-54.0
1184
-42.1
1271
-35.5
1576
-7.4
1700
2.5

B
11

-45.0
-49.2
-46.2
-39.9
-31.5

RUN

RUN

Log_PC2
0
-1
-2
-4
-6
-8
-10
-15
-20
-25
-30
-35
-40
-45
-50
-55
-60
-65
-70
-75
-80

T
2400
2400
2400
2400
2400
2400
2400
2400
2400
2400
2185
1873
1639
1457
1311
1192
1093
1009
937
874
819

DG_at_2400 Log_PC2 T
0.0
0
-11.0
1
-22.0
2
-43.9
4
-65.9
6
-87.9
8
-109.8
10
-164.7
15
-219.7
20
-274.6
25
-300.0
30
-300.0
35
-300.0
40
-300.0
45
-300.0
50
-300.0
55
-300.0
60
-300.0
65
-300.0
70
-300.0
75
-300.0
80

2400
2400
2400
2400
2400
2400
2400
2400
2400
2400
2400
2400
2400
2400
2400
2400
2400
2400
2400
2400
2400

DG_at_2400
0.0
11.0
22.0
43.9
65.9
87.9
109.8
164.7
219.7
274.6
329.5
384.4
439.3
494.2
549.1
604.0
659.0
713.9
768.8
823.7
878.6