Component Management Adding/Modifying/Searching Components DDBSP – Dortmund Data Bank Software Package DDBST - Dortmund Data Bank Software & Separation Technology GmbH Marie-Curie-Straße 10 D-26129 Oldenburg Tel.: +49 441 361819 0 E-Mail: [email protected] Web: www.ddbst.com DDBSP – Dortmund Data Bank Software Package 2021 Content 1. Introduction ......................................................................................................................................... 4 A. Content ........................................................................................................................................................ 4 B. Usage ........................................................................................................................................................... 5 2. Editing the Main Component List ......................................................................................................... 6 A. The Tool Bar ................................................................................................................................................. 7 a. “More” Functions .................................................................................................................................................................. 11 B. Private and Public Compound Files .............................................................................................................. 15 a. Copy Public Components to the Private Component List ..................................................................................................... 15 C. The Data Fields ........................................................................................................................................... 16 a. Component Specification ...................................................................................................................................................... 16 b. Antoine Constants ................................................................................................................................................................ 16 c. Values .................................................................................................................................................................................... 17 d. UNIQUAC Parameters ........................................................................................................................................................... 20 D. Synonyms Management ............................................................................................................................. 21 a. Export .................................................................................................................................................................................... 23 b. Import ................................................................................................................................................................................... 23 c. Reorganize ............................................................................................................................................................................. 23 3. Replace Component Definition File Entries for Calculations ................................................................. 24 4. Editing the Salt/Electrolyte List .......................................................................................................... 26 A. The Tool Bar ............................................................................................................................................... 26 B. Basic Entries ............................................................................................................................................... 27 C. Private and Public Salts and Electrolytes Lists .............................................................................................. 29 5. Ions ................................................................................................................................................... 30 6. Groups ............................................................................................................................................... 31 7. Polymers ............................................................................................................................................ 32 A. List of Polymers .......................................................................................................................................... 32 B. Editing Polymers ......................................................................................................................................... 32 C. Editing Monomers....................................................................................................................................... 33 8. Flash Points ....................................................................................................................................... 35 9. Searching for Components ................................................................................................................. 36 A. Dialog Parts ................................................................................................................................................ 36 a. Search Queries ...................................................................................................................................................................... 36 b. Component List ..................................................................................................................................................................... 37 c. Display Options ..................................................................................................................................................................... 37 d. Commands ............................................................................................................................................................................ 38 Component Management Page 2 of 55 DDBSP – Dortmund Data Bank Software Package 2021 B. Search Criteria ............................................................................................................................................ 38 a. Search for Names .................................................................................................................................................................. 38 b. UNIFAC sub group and main group searches ....................................................................................................................... 40 c. Empirical Formulas ................................................................................................................................................................ 40 d. CAS Registry Number ............................................................................................................................................................ 40 e. Molecular Weight ................................................................................................................................................................. 40 f. DDB Numbers ........................................................................................................................................................................ 40 g. Critical Temperature, Pressure, Volume ............................................................................................................................... 41 h. Vapor Pressure by Antoine ................................................................................................................................................... 41 i. Boiling Point by Antoine ......................................................................................................................................................... 41 j. Combination of main and subgroups ..................................................................................................................................... 42 k. Additional Search Keys (Synonyms) ...................................................................................................................................... 42 l. Atoms ..................................................................................................................................................................................... 43 m. UN Numbers ........................................................................................................................................................................ 43 n. CIS Numbers.......................................................................................................................................................................... 43 C. Search Type ................................................................................................................................................ 43 D. Search History ............................................................................................................................................ 44 E. The Menus .................................................................................................................................................. 44 a. File Menu .............................................................................................................................................................................