The Composition Series Dialog is used by the Phase Equilibria Temperature Estimates Dialog to generate a series of state variables consisting of a fixed pressure and compositions varying between specified limits.
The Composition Series dialog provides controls for specifying a fixed pressure and a range of composition values.
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1
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Number of Rows Control: displays the number of table rows into which the series values will be pasted. This number is initially equal to number of table rows selected in the estimates dialog. |
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2
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Increment/Decrement Control: enables you to increment or decrement the number of rows into which the series values will be pasted. |
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3
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Tie Line Control: enables you to enter any short text string for the estimate's tie line. Typically, tie lines are entered as TL001, TL002, TL003, etc. |
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4
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Components Controls: displays the names of the components in the current mixture. |
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5
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Composition Assignments Control: enables you to specify which composition will be varied, which compositions will be fixed, and which composition will be assigned the remainder amount. See the example below for details. |
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6
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Fixed Pressure Control: enables you to enter the fixed pressure that will assigned to each state variable set. |
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7
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Starting Composition Control: enables you to enter the lower limit of the generated compositions. |
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8
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Limit Type Control: enables you to select if composition values will be generated between a starting and ending limit or will be incremented by a specified amount. See below for details. |
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8
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Limit Amount Control: enables you to enter either the upper composition limit or the composition increment used to generate composition values. See below for details. |
When generating a series of composition values for a mixture containing three or more components, you must specify which composition will be varied, which composition will be assigned the residue value, and fixed values for the remaining compositions.
For example, in the compositions shown at the right, Composition A was selected as variable (starting at 0 wt% and being incremented by 10 wt%), Composition B was entered as a fixed value of 16 wt%, and Composition C was selected as remainder (equal to 100 wt% minus composition A and composition C).
| Composition A | Composition B | Composition C |
|---|---|---|
| (variable) | (fixed) | (remainder) |
| 0 | 16 | 84 |
| 10 | 16 | 74 |
| 20 | 16 | 64 |
| 30 | 16 | 54 |
| 40 | 16 | 44 |
| 50 | 16 | 34 |
| 60 | 16 | 24 |
| 70 | 16 | 14 |
These values would be generated by the following entries in the dialog.
For binary mixtures, it often does not matter which composition is set as variable and which is set as remainder. Both compositions will vary by the same amount, e.g., one will be incremented by 10 while the other is decremented by 10. Thus, both Cranium and Synapse automatically initialize the first composition to Variable and the second composition to Remainder.
Composition values can be generated between two limits, the starting composition and the ending composition, or by repeatedly incrementing the starting composition by a specified amount. The dialog's Limit Type control specifies which type of series to generate.
Assuming the number of rows equals 6, the entries to the right would generate compositions of: 0, 10, 20, 30, 40, and 50 wt%.
Assuming the number of rows equals 6, the entries to the right would generate compositions of: 0, 5, 10, 15, 20, and 25 wt%.
| 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. |