View Data 1. The View Data program.

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Presentation transcript:

View Data 1. The View Data program

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 Cu and O For example, the elements Cu and O

Double-click or «Enter» to view the compound data of Cu View Data 3. The Menu Bar Units Menu: Energy Pressure Summary Menu: All species containing Cu and O All species containing Cu All species containing O Edit Menu: File Menu: Double-click or «Enter» to view the compound data of Cu Help is provided through a slide show presentation

Species name, formula weight and density View Data 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

View Data 5. References Bibliographic data The full name of the database appears in the Status Bar: [C:\FactWin\FACTDATA\FACTBASE.CDB]. Bibliographic data

6. Heat capacity expressions – Cp(T) View Data 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)

7. Enthalpy expressions – H(T) View Data 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)

8. Gibbs Energy expressions – G(T) View Data 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

9. Entropy expressions – S(T) View Data 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

View Data 10. The Menu Bar * Table Menu: Databases Menu: Selection of the phase(s). Selection of the temperature range and step. Graph Menu: * Selection of thermodynamic data: Cp, H, G or S …vs T

11. Thermodynamic Data for Cu: Tabular Output View Data 11. Thermodynamic Data for Cu: Tabular Output Close Print Save Output Menu: + thermodynamic data at T = 298.15 K standard state From 500 K to 2500 K in steps of 500 K all phases (S, L, G)

12. Magnetic data and Cp expressions for Fe View Data 12. Magnetic data and Cp expressions for Fe and… … p is the P Factor and b is the Structure Factor Fe

View Data 13. Plotted Cp data for Fe Curie temperature = 1043 K

View Data 14. Tabular output for Fe 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 S1®S2®S1®L®G 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

15. Real gas coefficients for carbon dioxide CO2 View Data 15. Real gas coefficients for carbon dioxide CO2 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, CO2

View Data 16. Data for SiO2 For example, SiO2

View Data 17. Volume data - expansivities, compressivities and derivative of bulk modulus. Thermal expansion expression (expansivities): Compressibility expression: Derivative of the bulk modulus expression:

18. Adding a compound database to the list. View Data 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»

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

20. Data in 2 or more compound databases View Data 20. Data in 2 or more compound databases « All Databases » 15 compounds from the FACTBASE database and 2 from the SGTEBASE database for a total of 17 compounds.

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 Cu, Fe and S. For example, the elements Cu, Fe and S

22. The solution datasets window View Data 22. The solution datasets window Help is provided through a slide show presentation Summary Menu: All solutions containing Cu, Fe or O All solutions containing Cu All solutions containing Fe All solutions containing O Units Menu: Energy Pressure Edit Menu: File Menu: The full name of the Main FACT real solutions database appears in the Status Bar: [C:\FactWin\FACTDATA\FACTSOLN.SDB].

23. Adding a solution database to the list. View Data 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»

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

25. Data in 2 or more solution databases. View Data 25. Data in 2 or more solution databases. « All Databases » A total of 10 Solutions: 4 solutions from the FACT database and 6 from the SGTE database.