The Techniques Chapter is found in knowledge base documents. The chapter manages code, parameters, group contributions and interaction parameters for the physical property estimation techniques used by Cranium and Synapse.
The chapter's datapane is divided into eight sections:
Section | Description |
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Descriptive Information Section | contains fields for specifying the property being estimated and the general reference for the estimation technique. |
Model Information Section | contains fields for the technique's applicability code and model code. |
Parameter Values Section | contains fields for labeling each parameter (specifying a name and short description) and entering parameter values. |
Group Categories Section | certain estimation techniques, e.g., UNIFAC, collect groups into categories and then specify a contribution for the category instead of the individual groups. This section contains a field used to assign a category to each of the technique's groups. |
Group Contributions Section | contains fields for assigning the contribution of technique groups and assigning explicit priorties for each group. |
Binary Interaction Parameters Section | contains a field for assigning the interaction parameters for pairs of chemicals. |
General Notes Section | used to store any general notes about the current reference. Often a brief summary of the technique's capabilities and accuracy is entered in this field. |
Associated Documents Section | used to store links to any documents associated with the current technique. |
The Techniques chapter has commands for reporting, evaluating estimation techniques, analyzing groups and specifying manual technqiues. These commands are available from the chapter's Commands menu.
The menubar provides numerous other commands for navigation, bookmarking, file operations, units conversion, etc. See the documentation on Common Commands for details.
Topic | Description |
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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. |