Mixtures Chapter
Applicability: Cranium, Synapse (core versions 0315+)

The Mixtures Chapter is found in knowledge base documents. The chapter manages data and estimates for mixtures. A mixture has numerous attributes and properties including components, default composition, composition dependent properties, phase equilibrium properties, etc. These attributes and properties are viewed and edited in several sections.

Typical Usage

The Mixtures chapter stores all the information about a single mixture on a single page. The key defining property for a mixture is its components. Components are the list of chemicals of which the mixture is comprised. These are entered in the Components Section.

Typically you create a new mixture by pressing on the "+" button in the toolbar or selecting the Add New Page command from the Edit menu. The application will add a new blank page to the Mixtures chapter. You would then enter a value the mixture's identifier and then enter the mixture's component chemicals.

Once you enter a mixture's components, you can enter property data by clicking on the property's field and entering values into the activated dialog. Almost all mixture properties require you to enter composition value.

The following video demonstrates some of the Mixtures Chapter's capabilities: Estimating Mixture Properties.

Chapter Sections

The chapter's datapane is divided into more than ten sections:

Section Description
Components Section contains one large field detailing the current mixture's components.
Default Compositions Section contains one large field that lists default compositions. A default composition can be used when entering data values into property fields.
Composition Dependent Section contains a property control field, a large table and a graph used for storing, displaying and analyzing values for those physical properties dependent upon temperature and pressure.
Composition/Temperature Dependent Section contains a property control field, a large table and a graph used for storing, displaying and analyzing values for those physical properties dependent upon composition and temperature.
Composition/Temperature/Pressure Dependent Section contains a property control field, a large table and a graph used for storing, displaying and analyzing values for those physical properties dependent upon composition, temperature and pressure.
Phase Equilibria Section contains a property control field, a large table and a graph used for storing, displaying and analyzing values for phase equilibria properties.
Undesignated Data Section contains one large table field for entering one or more data values. Data values can be entered in this field when there is no other appropriate field. Undesignated data can be accessed in estimation techniques and general calculations.
General Calculations Section contains one large table field for entering one or more general calculations. General calculations are entered in the Techniques chapter in the same manner as other estimation techniques.
General Notes Section used to store any general notes about the current mixture.
Associated Documents Section used to store links to any document associated with the current mixture.
Chapter Commands

The Mixtures chapter has commands for reporting, compiling values and estimating properties. These commands are available from the chapter's Commands menu.

  • Report Chemical Properties: activates the Report Properties Dialog that enables you to select physical property data, estimates and graphs to add to an open Report Document. (Also see documentation on Reporting Properties.
  • Show Valued Properties: activates the Valued Properties Dialog: which lists the current mixture's properties that have one or more values.
  • Show Data Counts: activates the Data Counts Dialog: which shows the number of values for each selected physical property.
  • Calculate Multiple Mixtures: activates the Multiple Mixtures Calculation Dialog: that eanbles you to compute values for one or more mixtures using a selected General Calculation.
  • Estimate Multiple Mixtures: activates the Multiple Mixtures Estimation Dialog that computes estimates for one or more mixtures using a selected estimation technique.
  • Generate Binary Mixtures: activates the Generate Mixtures Dialog which enables you to create binary mixtures using any of the chemicals from the Chemicals Chapter as components. Each created mixture is added to the Mixtures Chapter.
  • Compile Property Values: activates the Compile Property Values Dialog which compiles all values for the selected physical property. The compiled values are displayed in the Compiled Property Values Dialog which provides analysis tools.
  • Detail Components: activates the Chemical Details Dialog enabling you to view the current mixture's components' molecular structures and several constant properties.
  • Goto Component: activates the Goto Mixture's Components dialog enabling you to select one of the mixture components. The application will then change to the Chemicals Chapter and change to the page displaying the selected chemical's property values.
  • Compute Estimates: activates the Property Estimation Dialog which estimates the properties of the current mixture.
Common Commands

The menubar provides numerous other commands for navigation, bookmarking, file operations, units conversion, etc. See the documentation on Common Commands for details.

Example: Add a new mixture to the current document
  1. Open a knowledge base document. (Open a "working" document or create a copy of a document (see here) if you are just experimenting with this functionality.)
  2. Using the tabs at the top of the document, change to the Mixtures Chapter by clicking the left mouse button on Mixtures tab.
  3. Create a new Mixture entity by pressing the "+" button in the menubar or executing the "Add New Page" command found on the Edit menu. A new, blank Mixture page will be added to the current document.
  4. Click the left mouse button in the Identifier Pane, the large white box at the top of the page. The application will activate the pane's datum edit dialog.
  5. Enter a name for the new chemical. Optionally enter a reference and comment.
  6. Finally, press the dialog's Save button. The application will save the new mixures's identifier into the current document and display the new name you just entered.
  7. Now click the left mouse button in the Component Section's Component Field's table control. The application will activate the Mixture's Components dialog.
  8. Click the left mouse button in the table's first row and press the dialog's Edit button. The application will activate the Mixture Component dialog.
  9. Enter "Dimethyl sulfoxide" for the Component Chemical and optionally a comment. Then press the dialog's OK button. The entered chemical component is added to the Components dialog.
  10. Now click the left mouse button in the table's second row and press the dialog's Edit button. Enter "Water" as the second component and press the dialog's OK button.
  11. Finally, press the Components dialog's Save button. The application will store the entered components into the current document.
Tip: Cranium and Synapse can recommend a mixture's name

If you wish, you may first enter a mixture's components and then select the mixture's name recommended by Cranium or Synapse. For example, add a new page to the Mixture chapter using the procedure detailed above. However, instead of entering an identifier, first enter the mixture's components.

Now when you click on the mixture's identifier field, the Identifier dialog will contain an enabled Recommend button. If you press the Recommend button, the application will form the name of the mixture by appending the names of each component. Thus the recommended name for a mixture with components A, B and C will be "A + B + C".

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The recommended name is formed by appending the name of each component together.
Related Documentation
Topic Description
Getting Started using Synapse provides a quick tour of Synapse's capabilities including examples of chemical product design.
Getting Started using Cranium provides a quick tour of Cranium's capabilities including a discussion of structure editing.
Estimating Chemical Properties a short video demonstrating how to estimate the physical properties of chemicals 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.