5.0 view data 1. the view data program. 5.0 view data 2.view data of a compound database pressure...
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View Data5.0
1. The View Data program
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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.
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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.