1. Process Design Course 2016-17
Using the NIST, DIPPR and DDBSP databases for Finding Physical, Chemical and Thermodynamic Properties
Process Design Course by
Mordechai Shacham
NIST – Open Access
DIPPR – Limited Access
user: byudippr
password: di2003ppr
DDBSP – Installed in Room 238 Building 59
NIST – Open Access
DIPPR – Limited Access
user: byudippr
password: di2003ppr
DDBSP – Installed in Room 238 Building 59
NIST – Open Access
DIPPR – Limited Access
user: byudippr
password: di2003ppr
DDBSP – Installed in Room 238 Building 59

3. Properties of gases and liquid are measured, calculated from basic models or estimated from correlations
Pure component constants: critical constants, boiling and freezing points, acentric factor
Thermodynamic properties of ideal gases: enthalpy and Gibbs energy of formation and heat capacity
PVT relationships: temperature, pressure, volume
Thermodynamic properties: heat capacity, fugacity and departure functions
Vapor pressure and enthalpy of vaporization
Fluid phase equilibria
Transport properties: viscosity, thermal conductivity and diffusivity

4. Search for Compounds in NIST

5. Specifying the Type of Data to be Displayed

6. Basic Information Concerning the Compound
2-D and 3-D structure representation

7. Solid Properties and Phase Change Data
Temp. dependent property given in an equation
Note that several values may be available for the same property

8. Basic Information Concerning a Different Compound

9. Solid Properties and Phase Change Data for Styrene
Vapor pressure represented by Antoine equation. Note difference in the parameters.
NIST very reliable source. Relies only on experimental data.

10. Constant Properties from DIPPR
Change Units

11. DIPPR – Definition of the Properties

12. DIPPR – Additional Information Regarding the Data
Data Type
Source Type
Reliability
None: Data have been predicted by project staff but no reliability was assigned

13. DIPPR – Additional Information Regarding Data
DIPPR attempts to provide full sets of data for all the compounds included by predicting properties whenever possible

14. DIPPR – Selection of the “Accepted” Property Value
Rejected
Acceptable

15. DIPPR – Coefficients for Temperature Dependent Property Correlations
Range of validity
Original Data
Equation No. + Property Calculator

16. DIPPR – Calculator for Temperature Dependent Property (Viscosity)
Property name and units
Validity Range

17. DIPPR – Equations Used for Various Properties

18. DIPPR – Equations Used for Various Properties

19. DIPPR – Original Data for Temperature Dependent Properties

20. DIPPR – Changing Display Units of Properties

21. DDBSP – Selecting the Compounds to be Included
Click to add the compound

22. DDBSP – Pure Compound Properties
Click for details
For calculation of activity coeffs.

23. DDBSP – Detailed Pure Compound Properties

24. DDBSP – Prediction of Properties
Draw the 2-D structure

25. DDBSP – Prediction of Properties
Continue
Tools for drawing the 2-D structure

26. DDBSP – Prediction of Properties
Prediction of critical properties by the Gani/Constantinous method

27. DDBSP – Mixture Property Prediction
Equilibrium type
Prediction Methods
Display

28. DDBSP – Molecular Structure Editor - Cyclohexylamine

29. DDBSP – Prediction of Properties by Group Contribution Methods

30. DDBSP – Phase Equilibrium Results
Ideal
Toluene
Azeotrope

31. The main source for correlations to estimate properties (including analysis based on experimental data), prediction methods for mixture properties
Poling, B.E., Prausnitz, J.M. and O’Connell, J.P., “The Properties of Gases and Liquids”, McGraw-Hill, Fifth Ed. 2001