TDE Product Design Menu

• Pure Compound:

  This is a special feature of TDE in which the user can specify property values, compound classes, and required sub-structures (up to 2), and TDE returns a list of any compounds present in TDE-SOURCE that meet the criteria
  Process details: Product Design: Pure Compound.

• Solvent for Solid:

  The user specifies a solid solute and the program returns suggested solvents based on criteria entered by the user. Criteria include solvent efficiency, property requirements, and compound class. A database of common solvents (~700) or all of TDE-SOURCE can be searched. Solubility is modeled based on activity coefficient models; UNIFAC predictions and/or models based, at least, in part on experimental data.
  Process details: Product Design: Solvent for a Solid.

• Selective Solvent for Solid Mixture:

  The user specifies a solid solute and a solid "contaminant." The program returns suggested solvents based on criteria entered by the user. Solvent criteria, models, and solvent databases are as described above for Solvent for Solid.
  Process details: Product Design: Selective Solvent for a Solid Mixture.

• Solvent for Extraction (of a solute from a carrier solvent):

  The user specifies a solute and "carrier" solvent. The program returns suggested solvents for extraction of the solute from the carrier solvent based on criteria entered by the user. Solvent criteria, models, and solvent databases are as described above for Solvent for Solid.
  Process details: Product Design: Solvent for Extraction of a Solute from a Carrier Solvent.