DDB and Process Simulation

This in-house course (upon request) gives a hand-on introduction to the most important features of DDBSP and examples of the use of DDB for practical applications but will not cover any thermodynamic fundamentals.

The first two blocks contain a general description of DDB and DDBSP followed by retrieval, correlation and estimation of pure component and mixture data, examination of ternary systems and solvent selection. The second block concludes with a short description of the literature data base as well as import of own data and data export.

In the further workshops of the course, more experience should be gained with the different features of DDB and DDBSP. In block 3 to 5 the software and data are used to help design an entrainer assisted separation (via distillation) in Aspen Plus®. Here the main focus is on exploring the mixture behavior and supplying the required parameters to the simulation.

Block 6  shows how to enter new data into the DDB. This block contains an in depth discussion on data formats and the database structure.

Block 7 is devoted to liquid-liquid equilibria, again closely related to a practical separation example in Aspen Plus®.

The final block covers some miscellaneous topics like software configuration and the stand-alone package PSRK.

While the individual topics will be retained, changes of this course structure might be made in order to improve different parts or to adjust the contents to the latest version of DDB and DDBSP.

Companies may replace parts of the course by different topics upon request.

The course is offered directed by J. Rarey as an external partner of DDBST (for inquieries please contact juergen@rarey.net).

 

Typical Timetable

Day 1 

 

 

 

 

 

 

 

 

 

 

 

 

 9.00 - 10.30 Block 1

Basic Course DDB/DDBSP 1

  • what is the DDB
  • short history
  • contents, availability, free directory
  • DDBST, LTP, University of Oldenburg
  • elements of DDB/DDBSP
  • items in start menu
  • folders and configuration, private data banks
  • search for and examine pure component data
  • types of components (regular, salts, ...)
  • the pure component definition files
  • synonyms
  • structure database, parameter data base
  • regress and estimate pure component data
  • retrieve and view experimental data from PURE
  • regression
  • data estimation using ARTIST
  10.30 - 10.45                                     Coffee Break
  10.45 - 12.15 Block 2

Basic Course DDB/DDBSP 2

  • search for and examine mixture data
  • regress and estimate mixture data
  • data regression OPT, LLEOPT, ...
  • simultaneous data regression RECVAL
  • predict mixture data
  • examine ternary systems, solvent selection (SYNTHESIS)
  • literature data base LEAR
  • the private DDB, own components, own data
  • export data
  12.15 - 13.15                                     Lunch Break
  13.15 - 14.45 Block 3

Designing a Separation 1

  • building the Aspen Plus® project

  • examining available pure component and mixture data
  • verifying data using estimation techniques
  • compare data with those of similar components
  • define key components
  14.45 - 15.00                                     Coffee Break
  15.00 - 16.30

Block 4

Designing a Separation 2

  • entrainer selection
  • available data for key components with different entrainers
  • Residual curve diagrams for key components with different entrainers
  • verify Aspen Plus® pure component and binary interaction parameters (key components  and one selected entrainer)

Day 2 

  

 9.00 - 10.30 Block 5

Designing a Separation 3

  • parameter regression using RECVAL
  • running the column simulation
  10.30 - 10.45                                     Coffee Break
  10.45 - 12.15 Block 6

Entering New Data

  • defining a new component
  • enter pure component data, data test
  • entering mixture data, data test
  12.15 - 13.15                                     Lunch Break
  13.15 - 14.45 Block 7

Liquid-Liquid Equilibria

  • building an Aspen Plus® project for heterogeneous azeotropic distillation
  • examining available pure component and mixture data
  • verify Aspen Plus® pure component and binary interaction parameters
  • data regression
  • running the column simulation
  14.45 - 15.00                                     Coffee Break
  15.00 - 16.30 Block 8

Miscellaneous

  • DDB configuration
  • PSRK
  •  ...