Synapse enables you to quickly and easily place constraints on physical properties. For example, if we are designing a mixture that should have liquid densities close to those of water, we can quickly enter the following constraints:
|f("Density, Liquid - f(T,X)", 293.15, 0)
|f("Density, Liquid - f(T,X)", 353.15, 0)
However, we must often enter more complicated constraints. For example, constraints on ratios of properties, dimensionless numbers (e.g., the Prantl number), or heat transfer coefficients.
The Function Section enables you to construct a constraint function of any complexity needed. The section contains a single field having one large code edit control.
Clicking the left mouse button on the code edit control activates the Code Edit dialog.
The function's code is run for every mixture candidate in a design or selection. For input, the function is given the candidate's name, components, and composition. These input arguments can be accessed by the standard functions shown in the code to the right.
For details on editing function code, see documentation for the Code Edit Dialog.
Clicking the right mouse button within the field's code edit control activates the field's 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.
In this example we will create a function that will determine if a given mixture candidate forms a minimum boiling azeotrope at atmospheric pressure. Finding a chemical which forms a minimum boiling azeotrope with a given solvent is a useful way to lower the drying temperature of heat labile materials.
The graph below shows the bubble point and dew point curves for a candidate mixture containing 2-propanol + 2,3-dimethylpentane. The curves were estimated by a variety of technique.
The two red dots (they are very close to each other) correpsond to the properties at the composition of the candidate mixture, e.g., 40 wt% for this candidate. The four black dots correspond to the properties at two limiting compositions equal to -10 wt% and +10 wt%, e.g., 30 wt% and 50 wt% for this candidate.
If the mixture's bubble point at its given composition, e.g., 40 wt%, is less than the bubble points at both of its limit values, e.g., 30 wt% and 50 wt%, then we will conclude that the mixture forms a minimum boiling azeotrope.
To test our new function, first make sure either the MKS Sample or MKS Core Knowledge Base is open.
|Knowledge Base Control: select either the MKS Sample or MKS Core Knowledge Base.
|Mixture Candidates Control: select the 1-butanol + n-octane mixture. Experimental data shows that this mixture forms an azeotrope at atomospheric pressure at a composition of 54.3 wt% 1-butanol.
|Default Compositions Control: select the default values of 'X: 40,60 wt %'.
|Calculate Button: press the dialog's Calculate button.
The application will apply the current function's code to the selected mixture and composition and display the results in the dialog.
|Results Control: displays the value returned from executing the function's code. In this example, the value returned is the input x,1 composition which is within 10 wt% of the minimum boiling azeotropic composition.
|Comments Control: displays any comments generated by the function's code or the application.
|Getting Started using Synapse
|provides a quick tour of Synapse's capabilities including examples of chemical product design.
|Designing Chemical Products
|a short video demonstrating how to use Synapse to design candidate chemicals that satisfy a set of physical property and molecular structure constraints.