View Data5.0

1. The View Data program

View Data5.0

2. View Data of a Compound Database

Pressure and Energy units

Compound Database

Possibility to add other databases in the data search - see slide 18

Click on «OK» to scan the Main FACT pure substance database for all species of CuCu and O

For example, the elements CuCu and O

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3. The Menu Bar

Units Menu: Energy

PressureSummary Menu:

• All species containing CuCu and O• All species containing CuCu• All species containing O

EEditdit Menu:

FFileile Menu:

Double-click or «Enter» to view the compound data of CuCu

Help is provided through a slide show presentation

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4. Phases

Retrieval of data on Cu from the Main FACT pure substances database.

There are 2 temperature ranges for Cu (liq) – each has its own CP expression.

Cu has 3 phases – S, L and G.

3 phases

Species name, formula weight and density References

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5. References

The full name of the database appears in the Status Bar: [C:\FactWin\FACTDATA\FACTBASE.CDB].

Bibliographic data

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6. Heat capacity expressions – Cp(T)

Note that the 2nd Cp expression for the liquid is constant at temperatures over 900 K.

The heat capacity expression of solid copper between 298 K and 1100K is:Cp(T) = [33.5575315 - 9.13164780 × 10-3 T + 212626.807 T-2 + 6.86736674 × 10-6 T2

- 2799.24538 T-1] (J/mol·K)

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7. Enthalpy expressions – H(T)

H(T) = [ 7002.148876 + 33.55753148 T - 4.565823899 × 10-3 T2 - 212626.8066 T-1 + 2.289122247 × 10-6 T3 - 2799.245381 lnT] (J/mol)

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8. Gibbs Energy expressions – G(T)

G(T) = [ 4202.903495 + 197.3661939 T - 4.565823899 × 10-3 T2 - 106313.4033 T-1 + 1.144561123 × 10-6 T3 - 2799.245381 lnT - 33.55753148 T lnT] (J/mol) at 1 bar

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9. Entropy expressions – S(T)

S(T) = [ -163.8086625 + 33.55753148 lnT - 9.131647798 × 10-3 T - 106313.4033 T-2 + 3.433683370 × 10-6 T2 + 2799.245381 T-1] (J/mol·K) at 1 bar

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10. The Menu Bar

TTableable Menu:

DDatabases atabases Menu:

Selection of the phase(s).

Selection of the temperature range and step.

GGraph raph Menu:

Selection of thermodynamic data:CCpp, HH, GG or SS …vs TT

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11. Thermodynamic Data for CuCu:Tabular Output

Close Print

Save

OutputOutput Menu:

++ thermodynamic

data at T = 298.15 KT = 298.15 K

standard state

FromFrom 500 K toto 2500 Kin steps of in steps of 500 K

all phasesall phases(S, L, G)

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12. MagneticMagnetic data and CCpp expressions for Fe

and…

… p is the P Factor and is

the Structure FactorFeFe

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13. Plotted Cp data for FeFe

Curie temperature = 1043 K

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14. Tabular output for FeFe

The allotropic transformation

S1 S2 (alpha gamma)

at 1184.81 K

At this temperature G(S1) = G(S2) (two phases in

equilibrium).

The enthalpy of fusion is 13806.9 J at

1810.95 K.

The allotropic transition reverses at

1667.47 K where S2 S1 (gamma delta).

Phase transitions S1S2S1LG

as T increases.

The enthalpy of vaporization to form monatomic Fe(g) at 1 atm is (482861.0 - 133229.8) = 349631.2 J at 3131.93 K.

…with an associated enthalpy of transformation of (34587.3 - 33574.4) = 1012.9 J

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15. Real gas coefficients for carbon dioxide COCO22

B is estimated by the Tsonopoulos method from Pc, Tc, Vc, omega (the acentric factor) and the dipole moment. Gases are treated as non-polar. For ideal gases, the value of B is zero.

The truncated virial equation of state is employed to treat real gases:

For example, COCO22

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16. Data for SiOSiO22

For example, SiOSiO22

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17. VolumeVolume data - expansivitiesexpansivities, compressivitiescompressivities and derivative of bulk bulk modulus.modulus.

Thermal expansion expression (expansivitiesexpansivities):

12

T KT T

c da b

Compressibility expression:

2 13

T T Mbard

a b cT

Derivative of the bulk modulus expression:

lna TbT

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18. Adding a compound database to the list.

1. Press the « Add… » button in the Compound Databases (1) frame.

3. This opens the dialog box “Compound - list of databases”. Type in the full name or browse to locate.

2. Select «compound»

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19. Adding a compound database to the list. (continued)

4. Enter a nickname (4 characters).Enter a description (one line).Click on «OK». 5. The SGTE database is now included in

the list of compound databases.

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20. Data in 2 or more compound databases

« All Databases »

1515 compounds from the FACTFACTBASE database and 22 from the SGTESGTEBASE database for a total of 1717 compounds.

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21. View Data of a Solution Database

Pressure and Energy units Solution Database

Possibility to add other databases in the data search – see slide 23.

Click on «OK» to scan the Main FACT real solutions database for all solutions containing CuCu, FeFe and SS.

For example, the elements CuCu, FeFe and SS

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22. The solution datasets window

Help is provided through a slide show presentation

Summary Menu:

• All solutions containing CuCu, FeFe or O• All solutions containing CuCu• All solutions containing FeFe• All solutions containing O

Units Menu: Energy

Pressure

EEditdit Menu:

FFileile Menu:

The full name of the Main FACT real solutions database appears in the Status Bar: [C:\FactWin\FACTDATA\FACTSOLN.SDB].

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23. Adding a solution database to the list.

1. Press « Add… » button in the Solution Databases (1) frame.

3. This opens the dialog box “Solution - list of databases”. Type in the full name or browse to locate.

2. Select «solution»

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24. Adding a solution database to the list. (continued)

4. Enter a nickname (4 characters).Enter a description (one line).Click on «OK».

5. The SGTE database is now included in the database list.

View Data5.0

25. Data in 2 or more solution databases.

« All Databases »

A total of 1010 Solutions:44 solutions from the FACTFACT database

and 66 from the SGTESGTE database.