Composition-Temperature-Pressure Dependent Estimates Dialog
Applicability: Cranium, Synapse (core versions 0315+)

The Composition-Temperature-Pressure Dependent Section uses the Estimates Edit Dialog to view and edit composition, 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.)

Dialog Controls

The Estimates dialog provides controls for displaying estimates, source information, editing temperatures, pressures, and compositions, sorting estimates, and regressing values.

1
Table Control: displays the current list of estimates. Each row contains a temperature, a pressure, compositions, 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.
2
Technique Control: displays the name of the estimation technique which generated the currently selected estimate.
3
Comments Control: displays the comments associated with the currently selected estimate.
4
Edit Button: activates the Estimate Edit dialog enabling you to enter the estimate's temperature, pressure, and compositions. See the documentation below for details.
5
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.
6
Series Button: displays a menu allowing you to choose to generate a temperature, pressure, or composition series. See below for documentation.
7
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.
8
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.
9
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.
10
Add Rows Button: pressing the Add Rows button will add rows to the bottom of the table control.
Commands Menu

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.

Estimate Dialog

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.

1
Units Controls: enables you to specify the composition units of the current estimate.
2
Component Controls: displays each of the components of the current mixture.
3
Composition Controls: enables you to enter compositions for each component.
4
Temperature Control: enables you to enter the estimate's temperature.
5
Units Control: enables you specify the units in which the temperature was entered.
6
Pressure Control: enables you to enter the estimate's pressure.
7
Units Control: enables you specify the units in which the pressure was entered.
8
Value Control: displays, if available, the estimated physical property value.
9
Value Units Control: displays the units of the estimated physical property value.
10
Technique Control: displays the name of the technique used to generate the current estimate.
11
Comments Control: displays comments generated by the application during the estimation process.
12
X Default Button: activates the Default Compositions Dialog which enables to select a default composition which will be entered into the composition controls. See below for documentation.
13
X Total Button: activates the Residual Composition Dialog which displays the current composition total and enables to assign the residual composition to an unassigned composition control. See below for documentation.
14
Tech Ref Button: retrieves the reference associated with this estimate's technique and opens the reference's associated document.

Entering a Default Composition

A mixture's Default Composition Section may contain one or more compositions that can be accessed by various dialogs used by Cranium and Synapse. The Estimate Edit Dialog is one such dialog.

Pressing the dialog's X Default button activates the default composition dialog.

Selecting a row in the Default Composition table control and pressing the OK button will insert the selected compositions into the Estimate Edit dialog's composition controls.


Residual Composition Dialog

Pressing the dialog's X Total button activates the Residual Composition Dialog. This dialog can be used to view the current compsition total and insert a residual composition value into an unassigned composition control.

1
Composition Total Control: displays the total of all entered compositions.
2
Units Control: displays the Estimate Dialog's currently selected composition units. Note that these units may be different from the current units being used in the application.
3
Residual Component Control: if there is only one component with an unassigned composition, this control displays that component's name.
4
Residual Concentration Control: if there is only one component with an unassigned composition, this control displays that component's composition that would bring the composition total to a value of 1 or 100, depending upon the current units.
5
Set Residue Button: if there is only one component with an unassigned composition and if there is a valid residual composition, pressing this button assigns the residual composition to the unassigned composition control.
Entering Series of State Variables

It is very common to desire estimates over a range of compositions, temperatures, or pressures. Pressing the dialog's Series button displays a menu with commands for either a composition series, temperature series, or pressure series.


Composition Series Dialog

The Composition Series Dialog enables you to generate a series of state variables consisting of a fixed temperature, a fixed pressure and compositions varying between specified limits. See the Composition Series Dialog documentation for details.


Temperature Series Dialog

The Temperature Series Dialog enables you to generate a series of state variables consisting of a fixed composition, a fixed pressure value, and temperature values varying between specified limits. See the Temperature Series Dialog documentation for details.


Pressure Series Dialog

The Pressure Series Dialog enables you to generate a series of state variables consisting of a fixed composition, a fixed temperature value, and pressure values varying between specified limits. See the Pressure Series Dialog documentation for details.

Goal Seek Dialog

Typically you first enter temperature and pressure values and then request the application to generate an estimated property value. Sometimes, the opposite process is desired - you specify a desired property 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.

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.