SuperChems Export Dialog
Applicability: Cranium, Synapse (core versions 0315+)

ioMosaic's SuperChems ™ software tool is an integrated platform for pressure relief and flare systems evaluation and design. Cranium and Synapse can generate Superchems input files. These input files contain both physical property data and parameters for physical property models. Once a file is generated, commands within SuperChems can be used to load the physical property values into the software tool.

The following window displays an example Superchems input file. Cranium and Synapse will also generate a ".xlog" log file that details the sources and procedures used to generate the exported physical property values.

Example: Export values into a SuperChems input file
  1. Open a Knowledge Base using either Cranium or Synapse.
  2. Click on the File menu and select the Export Values command.
  3. The application will activate the KB Export Dialog.
  4. Select 'SuperChems Format' from the Output File Format list and press the Export button. The Create a SuperChems Input file dialog is activated.
    1
    		 Browse button for entering the name of the export file.
    2
    		 List of chemicals for selection.
    3
    		 Commands for:
    • Detail: shows details, e.g., structure and properties, about the selected chemical.
    • Find: Use the Find Chemical dialog to find a chemical by its name, synonym, chemical formula, etc.
    4
    		 Export button
  5. Press the Browse button to select the file into which the exported values will be written.
  6. Select a chemical from the central list. Use the Detail and Find buttons to facilitate your selection.
  7. Finally press the dialog's Export button. Cranium or Synapse will compile and estimate the required physical properties, regress these properties into models if needed and write these values and parameters into the named SuperChems export file.
Example Files

The following input files were generated by exporting physical property values for cyclohexanol, ethyl acetate, ethanol and acetic acid.

Cyclohexanol.txt EthylAcetate.txt n-Hexane.txt
Ethanol.txt AceticAcid.txt Toluene.txt
Video Demonstration

Please see our video demonstrating how to export a SuperChems input file. The video uses Cranium to generate estimates for several physical properties. These estimates, and other physical property data and parameters are then written to a SuperChems input file.

Related Documentation
Topic Description
Estimating Chemical Properties a short video demonstrating how to estimate the physical properties of pure chemical using either Synapse or Cranium.
Estimating Mixture Properties a short video demonstrating how to estimate the physical properties of mixtures using either Synapse or Cranium.
Getting Started using Cranium provides a quick tour of Cranium's capabilities including physical property estimation and a discussion of structure editing.
Getting Started using Synapse provides a quick tour of Synapse's capabilities including examples of chemical product design.