CHEMCAD Export Dialog
Applicability: Cranium, Synapse (core versions 0325+)

CHEMCAD is a widely used process simulator. Cranium and Synapse can generate CHEMCAD neutral files. These neutral files contain physical property data and estimates. Once these files are generated, commands within CHEMCAD can be used to read the contained physical property values into CHEMCAD.

The following window displays an example CHEMCAD neutral file. The application also generates a ".xlog" log file that details the sources and procedures used to generate the exported physical property values.

Example: Export values into an CHEMCAD Neutral 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 'CHEMCAD Neutral File Format' from the Output File Format list and press the Export button. The Create a CHEMCAD Neutral File dialog is activated.
    Browse button for entering the name of the export file.
    List of chemicals selected to be exported.
    Commands for:
    • Select All: select all listed chemicals
    • Select None: select no listed chemicals
    • Detail: shows details, e.g., structure and properties, about the selected chemicals
    • Use Bkmrk: use a bookmark to select chemicals
    • Find: use the Find Chemical dialog to find a chemical by its name, synonym, chemical formula, etc.
    Export button
  5. Press the Browse button to select the file into which the exported values will be written.
  6. Select one or more chemicals from the central list. Use the Use Bkmrk (Use Bookmark), 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 CHEMCAD neutral file.
Example Files

The following neutral file was generated by exporting several chemicals including acetic acid, cyclohexanol, ethanol, ethyl acetate, n-hexane, toluene and vinyl chloride.

Example File Description A CHEMCAD Neutral file containing data for several common chemicals.
CHEMCADNeutralFile01.xlog A the log file generated by Cranium and Synapse documenting the data values and estimation methods used to generate the values exported to the neutral file.
Video Demonstration

Please see our video demonstrating how to export a CHEMCAD neutral file. The video uses Cranium to generate estimates for several physical properties. These estimates, and other physical property data are then written to a CHEMCAD neutral 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.
Getting Started using Cranium provides a quick tour of Cranium's capabilities including physical property estimation and a discussion of structure editing.