The Solubility Section uses the Estimates Edit Dialog to view and edit solvent, temperature, and pressure dependent estimates. The dialog is activated by clicking the left mouse button on the section's estimates table control or by selecting the Edit Variables & Detail Estimates command from the section's estimates table control commands menu. (See Estimates Commands Menu documentation for details.)
The Estimates dialog provides controls for displaying estimates, source information, editing temperatures, pressures, and compositions, sorting estimates, and regressing values.
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Table Control: displays the current list of estimates. Each row contains a solvent, temperature, a pressure, and (possibly) an estimated value. Clicking the left mouse button on a table row selects that table row. Clicking and holding the left mouse button down and then dragging the mouse will select several table rows. Double-clicking the left mouse button on a row selects the row and edits the contents of that row. |
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Technique Control: displays the name of the estimation technique which generated the currently selected estimate. |
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Comments Control: displays the comments associated with the currently selected estimate. |
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Edit Button: activates the Estimate Edit dialog enabling you to enter the estimate's solvent, temperature, and pressure. See the documentation below for details. |
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Commands Button: pressing the dialog's Commands button or clicking the right mouse button on the table control displays the commands menu. This menu provides standard commands for copying, pasting, and clearing state variables and estimates. See the documentation on Common Menu Commands for details. |
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Series Button: displays a menu allowing you to choose to generate a temperature, pressure, or composition series. See below for documentation. |
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Sort Button: the dialog's Sort button will be enabled if two or more rows are selected. Pressing the Sort button activates the Sort Attribute dialog. This dialog enables you to sort estimates in ascending or descending order by the selected attribute. |
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Goal Seek Button: activates the Goal Seek dialog. This dialog enables you to find state variable values that generate a certain estimated value. See below for documentation. |
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Regress Button: activates the Values Regression Dialog enabling you to fit a variety of equations to the current estimates. See the Regress Values Dialog documentation for details. |
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Add Rows Button: pressing the Add Rows button will add rows to the bottom of the table control. |
Clicking the right mouse button within the table control or pressing the dialog's Commands button displays the estimates commands menu.
The menu's commands enable you to copy, cut and paste values to and from the table control. See Common Menu Commands for documentation on the commands commonly found on command menus.
Clicking the left mouse button on a row in the table control or selecting a row and pressing the Edit button, activates the Estimate Edit Dialog. The dialog enables you to enter state variables and view current estimation values.
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Solvent Control: enables you to specify the solvent's name for the current curve point. |
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Previous Button: if present, assigns the name of the solvent assigned to the datum shown in the table row previous to this one. |
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List Button: activates the Choose Solvent Dialog which lists the chemicals present in the current document. Selecting a chemical inserts its name into the solvent control. |
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Temperature Control: enables you to enter the estimate's temperature. |
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Units Control: enables you specify the units in which the temperature was entered. |
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Pressure Control: enables you to enter the estimate's pressure. |
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Units Control: enables you specify the units in which the pressure was entered. |
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Value Control: displays, if available, the estimated solubility value. |
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Value Units Control: displays the units of the estimated solubility value. |
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Technique Control: displays the name of the technique used to generate the current estimate. |
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Comments Control: displays comments generated by the application during the estimation process. |
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Tech Ref Button: retrieves the reference associated with this estimate's technique and opens the reference's associated document. |
It is very common to desire estimates over a range of solvents, temperatures, or pressures. Pressing the dialog's Series button displays a menu with commands for either a solvent series, temperature series, or pressure series.
The Temperature Series Dialog enables you to generate a series of state variables consisting of a fixed solvent, a fixed pressure value, and temperature values varying between specified limits. See the Temperature Series Dialog documentation for details.
The Pressure Series Dialog enables you to generate a series of state variables consisting of a fixed solvent, a fixed temperature value, and pressure values varying between specified limits. See the Pressure Series Dialog documentation for details.
The Solvent Series Dialog enables you to generate a series of state variables consisting of a fixed temperature, a fixed pressure and one or more solvents selected from the chemicals present in the current document. See the Solvent Series Dialog documentation for details.
Typically you first enter a solvent, temperature, and pressure values and then request the application to generate an estimated solubility value. Sometimes, the opposite process is desired - you specify a desired solubility value and ask the application to determine the state variables that would generate that property value. The Goal Seek Dialog provides tools that enable you to make such estimations. See here for 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. |