The Thermodynamic Properties Section contains five fields for the following properties:
The Abbreviations Dialog shows the definitions of all the abbreviations used in Cranium and Synapse. To activate the dialog, select the Help menu's Abbreviations command. See here for documentation.
The phase control field contains a label and a values control. Each property field contains a label, a datum control, an estimated value control, and a units control.
|Phase Control: this controls enables you to select the phase for which thermodynamic properties are displayed. The current phases available are vapor, liquid, solid, and aqueous.
|Datum Control: displays the field's physical property's data value. A green triangle in the datum control's upper right corner indicates that additional data are available. (See below.)
|Estimate Control: displays the field's physical property's estimated value.
|Units Control: displays the current units for the field's physical property.
All the fields in this section contain numerical values. Thus, they all appear similar and are edited in the same manner.
Values for the thermodynamic properties listed in this section can also be entered as functions of temperature in the Temperature Dependent Section and as functions of temperature and pressure in the Temperature and Pressure Dependent Section.
The Phase edit control at the top of the field with the label "Phase:" is used to specify to which phase the section's physical properties apply.
|The Phase control specifies which to phase the section's physical properties apply. For example, selecting the Vapor Phase Properties phase, means that Cp,298 now represents the vapor phase heat capacity at 298K.
Clicking the left mouse button on this control activates the Phase dialog enabling you to choose between liquid phase, solid phase, vapor phase and aqueous phase properties.
The Data column of each field displays a physical property data value. The data value is displayed in the units shown in the Units column.
Clicking the left mouse button on a datum control activates a datum edit dialog enabling you to enter a value, accuracy, units, reference and comment. See documentation on the Datum-Units-Reference Edit Dialog for details.)
A green triangle in the data control's upper right corner indicates that additional data are available. (See documentation on the Datum-Units-Reference All Data Dialog for details on managing data having different status.)
Clicking the right mouse button within a field's datum control activates the field's datum commands menu.
The menu's commands enable you to copy, cut and paste values to and from the data control. See Common Menu Commands for documentation on the commands commonly found on command menus. See below for documentation on this field's specific menu commands.
Each property field runs a set of verification tests to check the validity of an entered value. Specifically:
Cranium or Synapse will signal an error if the entered value fails a physical property verification test.
The Estimates column of each field displays the physical property's estimated value. The value is displayed in the units shown in the Units column.
Clicking the left mouse button on an estimate control activates the Estimation Details dialog.
The Estimation Details dialog shows the estimated value, the technique used to generate the estimate, and any comments generated during the estimation. The dialog also has two buttons to provide more information about the technique used to generate the estimate:
Clicking the right mouse button on the estimate control displays the command menu.
The menu's commands enable you to copy, cut and clear values from the estimate control. (You cannot paste a value into an estimate control.) See Common Menu Commands for documentation on the commands commonly found on command menus. Some of this field's more specific commands are:
The dialog lists two estimation modes: Automatic and Manual. By default all estimations are initially set to Automatic Mode. Once you choose Manual Mode, the list of estimation techniques is enabled allowing you to choose any estimation technique known to the application. See documentation on Manual Techniques Dialog for details about manually selecting estimation techniques.
The Units column of each field displays the units in which the data value and estimated value are displayed.
Clicking the left mouse button on the field's units control activates the Set Property Units dialog.
Selecting new units from the list and press the OK button changes the current units in which the property is displayed. (Note that all data are stored in their original units - changing the displayed units does not change any stored data.) The dialog's Std Units button displays the default units used by Cranium and Synapse for the current physical property. All estimated values are generated by Cranium and Synapse in standard units. (See documentation on the Property Units Dialog for additional details on changing property units.)
The units set via the Set Property Units dialog, accessed either from the Options menu's Set Units command or clicking on the Units control in a physical property field, are assigned for all documents in the application. For example, if you have three knowledge base documents open and then change the units of the critical temperature, all documents will update their critical temperature displays using the newly selected units.
Units are also stored in the application. The next time Cranium or Synapse starts, the set of units used in your last session will be used again.
Although thermodynamic properties can also be entered as functions of temperature and pressure (see here) Cranium and Synapse treat these as different physical properties. Thus changing the units of the Vapor Entropy at 298K does not automatically change the units of the Vapor Entropy - f(T).
|Estimating Chemical Properties
|a short video demonstrating how to estimate physical properties using either Synapse or Cranium.
|Getting Started using Cranium
|provides a quick tour of Cranium's capabilities including a discussion of structure editing.
|the chemicals chapter contains numerous sections for entering and displaying data and estimates including the chemical structure section.